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methyl 2-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}amino)-5-benzyl-1,3-thiazole-4-carboxylate

Catalog ID
STL551523
SMILES CSCC[C@@H](C(=O)Nc1nc(c(s1)Cc1ccccc1)C(=O)OC)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 C38H42N4O8S2 MW 746.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H42N4O8S2/c1-21(43)39-26-14-12-23-19-30(47-2)34(48-3)35(49-4)32(23)24-13-15-27(29(44)20-25(24)26)40-28(16-17-51-6)36(45)42-38-41-33(37(46)50-5)31(52-38)18-22-10-8-7-9-11-22/h7-11,13,15,19-20,26,28H,12,14,16-18H2,1-6H3,(H,39,43)(H,40,44)(H,41,4
InChIKey
IWZHMAUURRJXCR-XCZPVHLTSA-N
Synonyms

127253272
CSCC(C@@H)(C(=O)Nc1nc(c(s1)Cc1ccccc1)C(=O)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H42N4O8S2c121(43)39261412231930(472)34(483)35(494)32(23)24131527(29(44)2025(24)26)4028(1617516)36(45)42384133(37(46)505)31(5238)1822108791122h711131519202628H12141618H216H3(H3943)(H4044)(H414245)t2628m0s1
methyl2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)5benzyl13thiazole4carboxylate
methyl2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)amino)5benzyl13thiazole4carboxylate
methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)5benzylthiazole4carboxylate
ZINC000604404902
ZINC604404902

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Available files

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