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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-alanyl-L-tryptophanate

Catalog ID
STL544241
SMILES COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](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 C36H40N4O8 MW 656.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N4O8/c1-19(35(43)40-29(36(44)48-6)15-22-18-37-26-10-8-7-9-23(22)26)38-28-14-12-24-25(17-30(28)42)27(39-20(2)41)13-11-21-16-31(45-3)33(46-4)34(47-5)32(21)24/h7-10,12,14,16-19,27,29,37H,11,13,15H2,1-6H3,(H,38,42)(H,39,41)(H,40,43)/t19-,27-,29
InChIKey
KVXAPNCXOIAXGS-OGEURKDJSA-N
Synonyms

(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)3(1Hindol3yl)propanoate
110207701
COC(=O)(C@H)(Cc1c(nH)c2c1cccc2)NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H40N4O8c119(35(43)4029(36(44)486)15221837261087923(22)26)382814122425(1730(28)42)27(3920(2)41)1311211631(453)33(464)34(475)32(21)24h71012141619272937H111315H216H3(H3842)(H3941)(H4043)t192729m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)3(1~(H)indol3yl)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LalanylLtryptophanate
ZINC000253408558
ZINC253408558

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Available files

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