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(3S)-2-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STL546574
SMILES CSCC[C@@H](C(=O)N1Cc2cc(OC)c(cc2C[C@H]1C(=O)NC)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C39H48N4O9S MW 748.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H48N4O9S/c1-21(44)41-27-11-9-22-16-34(50-5)36(51-6)37(52-7)35(22)25-10-12-28(31(45)19-26(25)27)42-29(13-14-53-8)39(47)43-20-24-18-33(49-4)32(48-3)17-23(24)15-30(43)38(46)40-2/h10,12,16-19,27,29-30H,9,11,13-15,20H2,1-8H3,(H,40,46)(H,41,44)(H,42
InChIKey
AFDNBNSCRNFELN-BKHJTQGXSA-N
Synonyms

(3~(S))2((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)67dimethoxy~(N)methyl34dihydro1~(H)isoquinoline3carboxamide
(3S)2(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)67dimethoxyNmethyl1234tetrahydroisoquinoline3carboxamide
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanoyl)67dimethoxyNmethyl1234tetrahydroisoquinoline3carboxamide
121541470
CSCC(C@@H)(C(=O)N1Cc2cc(OC)c(cc2C(C@H)1C(=O)NC)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC39H48N4O9Sc121(44)4127119221634(505)36(516)37(527)35(22)25101228(31(45)1926(25)27)4229(1314538)39(47)4320241833(494)32(483)1723(24)1530(43)38(46)402h10121619272930H911131520H218H3(H4046)(H4144)(H4245)t272930m0s1
ZINC000263584753
ZINC263584753

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Available files

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