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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-methoxyphenyl)ethyl]-L-isoleucinamide

Catalog ID
STL543828
SMILES CC[C@H]([C@@H](C(=O)NCCc1ccccc1OC)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 C36H45N3O7 MW 631.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N3O7/c1-8-21(2)33(36(42)37-18-17-23-11-9-10-12-30(23)43-4)39-28-16-14-25-26(20-29(28)41)27(38-22(3)40)15-13-24-19-31(44-5)34(45-6)35(46-7)32(24)25/h9-12,14,16,19-21,27,33H,8,13,15,17-18H2,1-7H3,(H,37,42)(H,38,40)(H,39,41)/t21-,27+,33+/m1/s1
InChIKey
GKTQYKSKYAEWCP-BSHLTOHISA-N
Synonyms
1574353-53-9
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(2methoxyphenyl)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2methoxyphenethyl)3methylpentanamide
1574353539
75492594
CC(C@H)((C@@H)(C(=O)NCCc1ccccc1OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H45N3O7c1821(2)33(36(42)37181723119101230(23)434)392816142526(2029(28)41)27(3822(3)40)1513241931(445)34(456)35(467)32(24)25h912141619212733H813151718H217H3(H3742)(H3840)(H3941)t2127+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2methoxyphenyl)ethyl)Lisoleucinamide
ZINC000108451591
ZINC108451591

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Available files

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