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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-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]glycinamide

Catalog ID
STL547558
SMILES CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)CNc1ccc2c(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 C34H39N5O6S MW 645.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N5O6S/c1-19(40)36-23-12-10-20-16-29(43-2)32(44-3)33(45-4)31(20)21-11-13-26(28(41)17-22(21)23)35-18-30(42)37-27(14-15-46-5)34-38-24-8-6-7-9-25(24)39-34/h6-9,11,13,16-17,23,27H,10,12,14-15,18H2,1-5H3,(H,35,41)(H,36,40)(H,37,42)(H,38,39)/t23-,
InChIKey
SMDAEYBPONUHDO-HOFKKMOUSA-N
Synonyms

121541575
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1~(S))1(1~(H)benzimidazol2yl)3methylsulfanylpropyl)acetamide
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H39N5O6Sc119(40)36231210201629(432)32(443)33(454)31(20)21111326(28(41)1722(21)23)351830(42)3727(1415465)343824867925(24)3934h69111316172327H1012141518H215H3(H3541)(H3640)(H3742)(H3839)t2327m0s1
N((S)1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)acetamide
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)glycinamide
ZINC000263586306
ZINC263586306

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Available files

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