MC-Gly-Gly-Phe-Gly-NH-CH2-O-CH2COOH CAS 1599440-25-1

MC-Gly-Gly-Phe-Gly-NH-CH2-O-CH2COOH CAS 1599440-25-1

Identification CAS Number 1599440-25-1 Name MC-Gly-Gly-Phe-Gly-NH-CH2-O-CH2COOH Synonyms 2-({2-[(2S)-2-(2-{2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]acetamido}acetamido)-3-phenylpropanamido]acetamido}methoxy)acetic acidGlycinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]glycylglycyl-L-phenylalanyl-N-[(carboxymethoxy)methyl]- [ACD/Index Name]N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[(carboxymethoxy)methyl]glycinamid [German] [ACD/IUPAC Name]N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[(carboxymethoxy)methyl]glycinamide [ACD/IUPAC Name]N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phénylalanyl-N-[(carboxyméthoxy)méthyl]glycinamide [French] [ACD/IUPAC Name]2-[[[2-[[(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]acetic acidMC-Gly-Gly-Phe-Gly-NH-CH2-O-CH2COOH SMILES OC(=O)COCNC(=O)CNC(=O)[C@H](CC1C=CC=CC=1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O StdInChI InChI=1S/C28H36N6O10/c35-21(9-5-2-6-12-34-25(39)10-11-26(34)40)29-14-22(36)30-16-24(38)33-20(13-19-7-3-1-4-8-19)28(43)31-15-23(37)32-18-44-17-27(41)42/h1,3-4,7-8,10-11,20H,2,5-6,9,12-18H2,(H,29,35)(H,30,36)(H,31,43)(H,32,37)(H,33,38)(H,41,42)/t20-/m0/s1 StdInChIKey SODPQQOBNODMSG-FQEVSTJZSA-N Molecular Formula C28H36N6O10 Molecular Weight 616.620 Properties Appearance Light yellow powder Safety Data Symbol GHS07 Signal Word Danger Hazard statements H302-H315-H319 Precautionary Statements P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 RIDADR  NONH for all…

Deruxtecan CAS 1599440-13-7

Deruxtecan CAS 1599440-13-7

Identification CAS Number 1599440-13-7 Name Deruxtecan Synonyms Glycinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]glycylglycyl-L-phenylalanyl-N-[[2-[[(1S,9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo[de ]pyrano[3′,4′:6,7]indolizino[1,2-b]quinolin-1-yl]amino]-2-oxoethoxy]methyl]- [ACD/Index Name]N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[(2-{[(1S,9S)-9-ethyl-5-fluor-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3′,4′:6,7 ]indolizino[1,2-b]chinolin-1-yl]amino}-2-oxoethoxy)methyl]glycinamid [German] [ACD/IUPAC Name]N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phénylalanyl-N-[(2-{[(1S,9S)-9-éthyl-5-fluoro-9-hydroxy-4-méthyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3′,4′:6, 7]indolizino[1,2-b]quinoléin-1-yl]amino}-2-oxoéthoxy)méthyl]glycinamide [French] [ACD/IUPAC Name]N-[6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]glycylglycyl-L-phenylalanyl-N-[(2-{[(1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3′,4′:6, 7]indolizino[1,2-b]quinolin-1-yl]amino}-2-oxoethoxy)methyl]glycinamide [ACD/IUPAC Name]1599440-13-7 [RN]6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamideDeruxtecanDeruxtecan Analog SMILES CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cc(c(c6c5c4[C@H](CC6)NC(=O)COCNC(=O)CNC(=O)[C@H](Cc7ccccc7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)C)F)O StdInChI InChI=1S/C52H56FN9O13/c1-3-52(73)33-19-38-48-31(24-62(38)50(71)32(33)25-75-51(52)72)47-35(14-13-30-28(2)34(53)20-36(60-48)46(30)47)58-43(67)26-74-27-57-41(65)22-56-49(70)37(18-29-10-6-4-7-11-29)59-42(66)23-55-40(64)21-54-39(63)12-8-5-9-17-61-44(68)15-16-45(61)69/h4,6-7,10-11,15-16,19-20,35,37,73H,3,5,8-9,12-14,17-18,21-27H2,1-2H3,(H,54,63)(H,55,64)(H,56,70)(H,57,65)(H,58,67)(H,59,66)/t35-,37-,52-/m0/s1 StdInChIKey WXNSCLIZKHLNSG-MCZRLCSDSA-N Molecular Formula C52H56FN9O13 Molecular Weight 1034.052 MDL Number MFCD31657445 Properties Appearance Light yellow powder Safety Data Symbol GHS06 Signal Word Danger Hazard statements H301…

Belotecan hydrochloride (CKD-602) CAS 213819-48-8

Belotecan hydrochloride (CKD-602) CAS 213819-48-8

Identification CAS Number 213819-48-8 Name Belotecan hydrochloride (CKD-602) Synonyms Validated by Experts, Validated by Users, Non-Validated, Removed by Users(4S)-4-Ethyl-4-hydroxy-11-[2-(isopropylamino)ethyl]-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]chinolin-3,14(4H,12H)-dionhydrochlorid (1:1) [German] [ACD/IUPAC Name](4S)-4-Éthyl-4-hydroxy-11-[2-(isopropylamino)éthyl]-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoléine-3,14(4H,12H)-dione, chlorhydrate (1:1) [French] [ACD/IUPAC Name](4S)-4-Ethyl-4-hydroxy-11-[2-(isopropylamino)ethyl]-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride (1:1) [ACD/IUPAC Name](S)-4-ethyl-4-hydroxy-11-(2-(isopropylamino)ethyl)-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-[2-[(1-methylethyl)amino]ethyl]-, (4S)-, hydrochloride (1:1) [ACD/Index Name]213819-48-8 [RN]Belotecan hydrochloride [USAN]CKD 6021346598-22-8 [RN]Belotecan [INN] [Wiki]Belotecan (hydrochloride)Belotecan HClBelotecan-d7 HydrochlorideCamtobellCamtobell hydrochlorideHYDROGEN BELOTECAN CHLORIDEMFCD07772313 SMILES CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4CCNC(C)C)O.Cl StdInChI…

MMAE, vedotin CAS 474645-27-7

MMAE, vedotin CAS 474645-27-7

Identification CAS Number 474645-27-7 Name MMAE, vedotin Synonyms 474645-27-7 [RN]L-Valinamide, N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxo butyl]-N-methyl- [ACD/Index Name]MMAEMonomethyl auristatin E [Wiki]Monomethylauristatin EN-Methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenyl-2-propanyl]amino}-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl}-3-methoxy-5-methyl-1-oxo-4-heptanyl]-N-methyl-L-valin amid [German] [ACD/IUPAC Name]N-Methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenyl-2-propanyl]amino}-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl}-3-methoxy-5-methyl-1-oxo-4-heptanyl]-N-methyl-L-valin amide [ACD/IUPAC Name]N-Méthyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phényl-2-propanyl]amino}-1-méthoxy-2-méthyl-3-oxopropyl]-1-pyrrolidinyl}-3-méthoxy-5-méthyl-1-oxo-4-heptanyl]-N-méthyl-L-valin amide [French] [ACD/IUPAC Name]UNII-V7I58RC5EJV7I58RC5EJ(2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide(S)-N-((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)-N,3-dimethyl-2-((S)-3-methyl-2[474645-27-7] [RN]4Q5MFCD22124498 [MDL number]MMAE (Monomethyl auristatin E)Monomethyl auristatin E (MMAE)N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamideN-Methyl-L-Valyl-N-[(3r,4s,5s)-1-{(2s)-2-[(1r,2r)-3-{[(1s,2r)-1-Hydroxy-1-Phenylpropan-2-Yl]amino}-1-Methoxy-2-Methyl-3-Oxopropyl]pyrrolidin-1-Yl}-3-Methoxy-5-Methyl-1-Oxoheptan-4-Yl]-N-Methyl-L-ValinamideUNII:V7I58RC5EJUntitled DocumentVedotin; MMAE SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC StdInChI InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1 StdInChIKey DASWEROEPLKSEI-UIJRFTGLSA-N Molecular Formula C39H67N5O7 Molecular Weight 717.979  MDL Number MFCD22124498…