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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-valyl-L-phenylalaninate

Catalog ID
STL542995
SMILES COC(=O)[C@@H](NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)Cc1ccccc1

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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 C36H43N3O8 MW 645.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N3O8/c1-20(2)32(35(42)39-28(36(43)47-7)17-22-11-9-8-10-12-22)38-27-16-14-24-25(19-29(27)41)26(37-21(3)40)15-13-23-18-30(44-4)33(45-5)34(46-6)31(23)24/h8-12,14,16,18-20,26,28,32H,13,15,17H2,1-7H3,(H,37,40)(H,38,41)(H,39,42)/t26-,28-,32-/m0/s
InChIKey
UBMNLVQTYMXTRO-XKVYUHEQSA-N
Synonyms

(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)3phenylpropanoate
110207902
COC(=O)(C@@H)(NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)Cc1ccccc1
InChI=1SC36H43N3O8c120(2)32(35(42)3928(36(43)477)17221198101222)382716142425(1929(27)41)26(3721(3)40)1513231830(444)33(455)34(466)31(23)24h81214161820262832H131517H217H3(H3740)(H3841)(H3942)t262832m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)3phenylpropanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LvalylLphenylalaninate
ZINC000253413181
ZINC253413181

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Available files

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