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

Catalog ID
STL549566
SMILES CNC(=O)[C@@H]1Cc2cc(OC)c(cc2CN1C(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)OC

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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 C38H46N4O9 MW 702.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O9/c1-21(43)41-27-12-10-22-16-33(49-5)36(50-6)37(51-7)35(22)25-11-13-28(30(44)19-26(25)27)40-14-8-9-34(45)42-20-24-18-32(48-4)31(47-3)17-23(24)15-29(42)38(46)39-2/h11,13,16-19,27,29H,8-10,12,14-15,20H2,1-7H3,(H,39,46)(H,40,44)(H,41,43)/t2
InChIKey
ZOIJEGMRUGHLEQ-YTMVLYRLSA-N
Synonyms

(3~(S))2(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoyl)67dimethoxy~(N)methyl34dihydro1~(H)isoquinoline3carboxamide
(3S)2(4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)67dimethoxyNmethyl1234tetrahydroisoquinoline3carboxamide
(S)2(4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)67dimethoxyNmethyl1234tetrahydroisoquinoline3carboxamide
127253101
CNC(=O)(C@@H)1Cc2cc(OC)c(cc2CN1C(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)OC
InChI=1SC38H46N4O9c121(43)41271210221633(495)36(506)37(517)35(22)25111328(30(44)1926(25)27)40148934(45)4220241832(484)31(473)1723(24)1529(42)38(46)392h111316192729H81012141520H217H3(H3946)(H4044)(H4143)t2729m0s1
ZINC000604406249
ZINC604406249

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Available files

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