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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-isoleucyl}-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Catalog ID
STL548884
SMILES CC[C@H]([C@@H](C(=O)N1Cc2cc(OC)c(cc2C[C@H]1C(=O)NC)OC)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C40H50N4O9 MW 730.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H50N4O9/c1-10-21(2)36(40(48)44-20-25-18-33(50-6)32(49-5)17-24(25)15-30(44)39(47)41-4)43-29-14-12-26-27(19-31(29)46)28(42-22(3)45)13-11-23-16-34(51-7)37(52-8)38(53-9)35(23)26/h12,14,16-19,21,28,30,36H,10-11,13,15,20H2,1-9H3,(H,41,47)(H,42,45)(H
InChIKey
RRDMFSXAYLCETR-HIIUBNQBSA-N
Synonyms

(3~(S))2((2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)67dimethoxy~(N)methyl34dihydro1~(H)isoquinoline3carboxamide
(3S)2(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)67dimethoxyNmethyl1234tetrahydroisoquinoline3carboxamide
(S)2((2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanoyl)67dimethoxyNmethyl1234tetrahydroisoquinoline3carboxamide
121541049
CC(C@H)((C@@H)(C(=O)N1Cc2cc(OC)c(cc2C(C@H)1C(=O)NC)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC40H50N4O9c11021(2)36(40(48)4420251833(506)32(495)1724(25)1530(44)39(47)414)432914122627(1931(29)46)28(4222(3)45)1311231634(517)37(528)38(539)35(23)26h1214161921283036H1011131520H219H3(H4147)(H4245)(H4346)t2128+30+36+m1s1
ZINC000263586247
ZINC263586247

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Available files

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