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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3,4-dimethoxybenzyl)-L-isoleucinamide

Catalog ID
STL542029
SMILES CC[C@H]([C@@H](C(=O)NCc1ccc(c(c1)OC)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 C36H45N3O8 MW 647.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N3O8/c1-9-20(2)33(36(42)37-19-22-10-15-29(43-4)30(16-22)44-5)39-27-14-12-24-25(18-28(27)41)26(38-21(3)40)13-11-23-17-31(45-6)34(46-7)35(47-8)32(23)24/h10,12,14-18,20,26,33H,9,11,13,19H2,1-8H3,(H,37,42)(H,38,40)(H,39,41)/t20-,26+,33+/m1/s1
InChIKey
ZVWDVULGUMMNQJ-UMPYMBDESA-N
Synonyms
1574392-43-0
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((34dimethoxyphenyl)methyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(34dimethoxybenzyl)3methylpentanamide
1574392430
75491024
CC(C@H)((C@@H)(C(=O)NCc1ccc(c(c1)OC)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H45N3O8c1920(2)33(36(42)371922101529(434)30(1622)445)392714122425(1828(27)41)26(3821(3)40)1311231731(456)34(467)35(478)32(23)24h10121418202633H9111319H218H3(H3742)(H3840)(H3941)t2026+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(34dimethoxybenzyl)Lisoleucinamide
ZINC000150652978
ZINC150652978

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Available files

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