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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-(3,4,5-trimethoxyphenyl)-L-isoleucinamide

Catalog ID
STL540140
SMILES CC[C@H]([C@@H](C(=O)Nc1cc(OC)c(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 C36H45N3O9 MW 663.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N3O9/c1-10-19(2)32(36(42)38-22-16-29(44-5)33(46-7)30(17-22)45-6)39-26-14-12-23-24(18-27(26)41)25(37-20(3)40)13-11-21-15-28(43-4)34(47-8)35(48-9)31(21)23/h12,14-19,25,32H,10-11,13H2,1-9H3,(H,37,40)(H,38,42)(H,39,41)/t19-,25+,32+/m1/s1
InChIKey
QSWDXSNFFMRNDS-RNUBLEDQSA-N
Synonyms
1574379-76-2
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(345trimethoxyphenyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(345trimethoxyphenyl)pentanamide
1574379762
75492037
CC(C@H)((C@@H)(C(=O)Nc1cc(OC)c(c(c1)OC)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H45N3O9c11019(2)32(36(42)38221629(445)33(467)30(1722)456)392614122324(1827(26)41)25(3720(3)40)1311211528(434)34(478)35(489)31(21)23h1214192532H101113H219H3(H3740)(H3842)(H3941)t1925+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(345trimethoxyphenyl)Lisoleucinamide
ZINC000150653608
ZINC150653608

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Available files

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