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methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl-L-phenylalaninate

Catalog ID
STL545417
SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)OC)Cc1ccccc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C36H43N3O8S MW 677.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N3O8S/c1-21(40)37-26-14-12-23-19-31(44-2)33(45-3)34(46-4)32(23)24-13-15-27(30(41)20-25(24)26)38-28(16-17-48-6)35(42)39-29(36(43)47-5)18-22-10-8-7-9-11-22/h7-11,13,15,19-20,26,28-29H,12,14,16-18H2,1-6H3,(H,37,40)(H,38,41)(H,39,42)/t26-,28-,2
InChIKey
QGXZUTRBJKJIOA-ZXRKZBAXSA-N
Synonyms

(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)3phenylpropanoate
110207732
CSCC(C@@H)(C(=O)N(C@H)(C(=O)OC)Cc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H43N3O8Sc121(40)37261412231931(442)33(453)34(464)32(23)24131527(30(41)2025(24)26)3828(1617486)35(42)3929(36(43)475)1822108791122h71113151920262829H12141618H216H3(H3740)(H3841)(H3942)t262829m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)3phenylpropanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LmethionylLphenylalaninate
ZINC000253412229
ZINC253412229

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Available files

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