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

Catalog ID
STL546216
SMILES CSCC[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC)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 C37H44N4O7S MW 688.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O7S/c1-21(42)39-27-13-11-23-18-32(46-3)34(47-4)35(48-5)33(23)25-12-14-28(31(43)19-26(25)27)40-29(15-16-49-6)37(45)41-20-24-10-8-7-9-22(24)17-30(41)36(44)38-2/h7-10,12,14,18-19,27,29-30H,11,13,15-17,20H2,1-6H3,(H,38,44)(H,39,42)(H,40,43)/t
InChIKey
DZYHJDYBOBVINN-BKHJTQGXSA-N
Synonyms

(3~(S))2((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)~(N)methyl34dihydro1~(H)isoquinoline3carboxamide
(3S)2(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanoyl)Nmethyl1234tetrahydroisoquinoline3carboxamide
121541355
CSCC(C@@H)(C(=O)N1Cc2ccccc2C(C@H)1C(=O)NC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H44N4O7Sc121(42)39271311231832(463)34(474)35(485)33(23)25121428(31(43)1926(25)27)4029(1516496)37(45)4120241087922(24)1730(41)36(44)382h71012141819272930H1113151720H216H3(H3844)(H3942)(H4043)t272930m0s1
ZINC000263585094
ZINC263585094

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Available files

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