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

Catalog ID
STL545812
SMILES CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCNc1ccc2c(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 C38H46N4O7 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O7/c1-23(43)41-29-16-14-25-20-33(47-3)36(48-4)37(49-5)35(25)27-15-17-30(32(44)21-28(27)29)40-18-10-6-7-13-34(45)42-22-26-12-9-8-11-24(26)19-31(42)38(46)39-2/h8-9,11-12,15,17,20-21,29,31H,6-7,10,13-14,16,18-19,22H2,1-5H3,(H,39,46)(H,40,44)
InChIKey
VIIPFGHGPAOFIA-SMCANUKXSA-N
Synonyms

(3~(S))2(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoyl)~(N)methyl34dihydro1~(H)isoquinoline3carboxamide
(3S)2(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
(S)2(6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
121541409
CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H46N4O7c123(43)41291614252033(473)36(484)37(495)35(25)27151730(32(44)2128(27)29)401810671334(45)42222612981124(26)1931(42)38(46)392h891112151720212931H6710131416181922H215H3(H3946)(H4044)(H4143)t2931m0s1
ZINC000263586531
ZINC263586531

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Available files

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