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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-leucyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STL548458
SMILES COc1cc2C[C@@H](C(=O)N)N(Cc2cc1OC)C(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)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 C39H48N4O9 MW 716.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H48N4O9/c1-20(2)13-29(39(47)43-19-24-17-33(49-5)32(48-4)16-23(24)14-30(43)38(40)46)42-28-12-10-25-26(18-31(28)45)27(41-21(3)44)11-9-22-15-34(50-6)36(51-7)37(52-8)35(22)25/h10,12,15-18,20,27,29-30H,9,11,13-14,19H2,1-8H3,(H2,40,46)(H,41,44)(H,42
InChIKey
CABGUSJAUSMXBN-BKHJTQGXSA-N
Synonyms

(3~(S))2((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)67dimethoxy34dihydro1~(H)isoquinoline3carboxamide
(3S)2(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lleucyl)67dimethoxy1234tetrahydroisoquinoline3carboxamide
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanoyl)67dimethoxy1234tetrahydroisoquinoline3carboxamide
121541187
COc1cc2C(C@@H)(C(=O)N)N(Cc2cc1OC)C(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC39H48N4O9c120(2)1329(39(47)4319241733(495)32(484)1623(24)1430(43)38(40)46)422812102526(1831(28)45)27(4121(3)44)119221534(506)36(517)37(528)35(22)25h1012151820272930H911131419H218H3(H24046)(H4144)(H4245)t272930m0s1
ZINC000263584906
ZINC263584906

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Available files

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