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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-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-L-methioninamide

Catalog ID
STL551436
SMILES CSCC[C@@H](C(=O)NC1CCc2c1cc(OC)c(c2)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 C37H45N3O8S MW 691.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H45N3O8S/c1-20(41)38-27-12-9-22-17-33(46-4)35(47-5)36(48-6)34(22)23-10-13-28(30(42)18-25(23)27)39-29(14-15-49-7)37(43)40-26-11-8-21-16-31(44-2)32(45-3)19-24(21)26/h10,13,16-19,26-27,29H,8-9,11-12,14-15H2,1-7H3,(H,38,41)(H,39,42)(H,40,43)/t26?,
InChIKey
KOGHEEAPEGJPGX-NAUKPKSFSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(56dimethoxy23dihydro1~(H)inden1yl)4methylsulfanylbutanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(56dimethoxy23dihydro1Hinden1yl)4(methylthio)butanamide
129895951
CSCC(C@@H)(C(=O)NC1CCc2c1cc(OC)c(c2)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H45N3O8Sc120(41)3827129221733(464)35(475)36(486)34(22)23101328(30(42)1825(23)27)3929(1415497)37(43)4026118211631(442)32(453)1924(21)26h10131619262729H8911121415H217H3(H3841)(H3942)(H4043)t26?2729m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(56dimethoxy23dihydro1Hinden1yl)Lmethioninamide
ZINC000524732208
ZINC000524732209

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Available files

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