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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)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STL548817
SMILES CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCNc1ccc2c(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 C36H42N4O7 MW 642.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N4O7/c1-21(41)39-27-14-12-23-18-31(45-3)34(46-4)35(47-5)33(23)25-13-15-28(30(42)19-26(25)27)38-16-8-11-32(43)40-20-24-10-7-6-9-22(24)17-29(40)36(44)37-2/h6-7,9-10,13,15,18-19,27,29H,8,11-12,14,16-17,20H2,1-5H3,(H,37,44)(H,38,42)(H,39,41)/t2
InChIKey
DBLGEASNTCZKAK-YTMVLYRLSA-N
Synonyms

(3~(S))2(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoyl)~(N)methyl34dihydro1~(H)isoquinoline3carboxamide
(3S)2(4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
(S)2(4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
121541384
CNC(=O)(C@@H)1Cc2ccccc2CN1C(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H42N4O7c121(41)39271412231831(453)34(464)35(475)33(23)25131528(30(42)1926(25)27)381681132(43)4020241076922(24)1729(40)36(44)372h67910131518192729H8111214161720H215H3(H3744)(H3842)(H3941)t2729m0s1
ZINC000263585008
ZINC263585008

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Available files

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