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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)-2-methylbutyl]glycinamide

Catalog ID
STL548641
SMILES CC[C@@H]([C@@H](c1nc2c([nH]1)cccc2)NC(=O)CNc1ccc2c(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 C35H41N5O6 MW 627.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O6/c1-7-19(2)32(35-38-25-10-8-9-11-26(25)39-35)40-30(43)18-36-27-15-13-22-23(17-28(27)42)24(37-20(3)41)14-12-21-16-29(44-4)33(45-5)34(46-6)31(21)22/h8-11,13,15-17,19,24,32H,7,12,14,18H2,1-6H3,(H,36,42)(H,37,41)(H,38,39)(H,40,43)/t19-,24-,
InChIKey
SZONOCYSZHDCLK-PGFRFIBHSA-N
Synonyms

121541337
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1~(S)2~(S))1(1~(H)benzimidazol2yl)2methylbutyl)acetamide
CC(C@@H)((C@@H)(c1nc2c((nH)1)cccc2)NC(=O)CNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H41N5O6c1719(2)32(35382510891126(25)3935)4030(43)18362715132223(1728(27)42)24(3720(3)41)1412211629(444)33(455)34(466)31(21)22h811131517192432H7121418H216H3(H3642)(H3741)(H3839)(H4043)t192432m0s1
N((1S2S)1(1Hbenzo(d)imidazol2yl)2methylbutyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)acetamide
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)1(1Hbenzimidazol2yl)2methylbutyl)glycinamide
ZINC000263586367
ZINC263586367

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Available files

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