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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-[2-(2-methoxyphenoxy)ethyl]-L-isoleucinamide

Catalog ID
STL544091
SMILES CC[C@H]([C@@H](C(=O)NCCOc1ccccc1OC)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/c1-8-21(2)33(36(42)37-17-18-47-30-12-10-9-11-29(30)43-4)39-27-16-14-24-25(20-28(27)41)26(38-22(3)40)15-13-23-19-31(44-5)34(45-6)35(46-7)32(23)24/h9-12,14,16,19-21,26,33H,8,13,15,17-18H2,1-7H3,(H,37,42)(H,38,40)(H,39,41)/t21-,26+,33+/m1
InChIKey
DKRUMBWSXBQJNG-UNFOWLHKSA-N
Synonyms
1574337-97-5
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(2methoxyphenoxy)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(2methoxyphenoxy)ethyl)3methylpentanamide
1574337975
75491481
CC(C@H)((C@@H)(C(=O)NCCOc1ccccc1OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H45N3O8c1821(2)33(36(42)3717184730121091129(30)434)392716142425(2028(27)41)26(3822(3)40)1513231931(445)34(456)35(467)32(23)24h912141619212633H813151718H217H3(H3742)(H3840)(H3941)t2126+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2methoxyphenoxy)ethyl)Lisoleucinamide
ZINC000150653259
ZINC150653259

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Available files

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