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

Catalog ID
STL547135
SMILES CNC(=O)[C@@H]1Cc2cc(OC)c(cc2CN1C(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)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 C40H50N4O9 MW 730.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H50N4O9/c1-21(2)14-30(40(48)44-20-25-18-34(50-6)33(49-5)17-24(25)15-31(44)39(47)41-4)43-29-13-11-26-27(19-32(29)46)28(42-22(3)45)12-10-23-16-35(51-7)37(52-8)38(53-9)36(23)26/h11,13,16-19,21,28,30-31H,10,12,14-15,20H2,1-9H3,(H,41,47)(H,42,45)(H
InChIKey
AGYSRROQNCXHEC-ASVWTAOFSA-N
Synonyms

(3~(S))2((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)67dimethoxy~(N)methyl34dihydro1~(H)isoquinoline3carboxamide
(3S)2(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lleucyl)67dimethoxyNmethyl1234tetrahydroisoquinoline3carboxamide
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanoyl)67dimethoxyNmethyl1234tetrahydroisoquinoline3carboxamide
121541465
CNC(=O)(C@@H)1Cc2cc(OC)c(cc2CN1C(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C)OC
InChI=1SC40H50N4O9c121(2)1430(40(48)4420251834(506)33(495)1724(25)1531(44)39(47)414)432913112627(1932(29)46)28(4222(3)45)1210231635(517)37(528)38(539)36(23)26h1113161921283031H1012141520H219H3(H4147)(H4245)(H4346)t283031m0s1
ZINC000263584761
ZINC263584761

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Available files

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