(2S,3S)-3-methyl-2-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoylamino]pentanoate Openeye Name: (2S,3S)-2-[[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[[2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[2-[(1-isobutylbenzimidazol-2-yl)thio]acetyl]amino]-3-methyl-valerate Formula: C19H26N3O3S- MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CSC1=NC2=CC=CC=C2N1CC(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CSC1=NC2=CC=CC=C2N1CC(C)C

InChI

InChI=1S/C19H27N3O3S/c1-5-13(4)17(18(24)25)21-16(23)11-26-19-20-14-8-6-7-9-15(14)22(19)10-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3,(H,21,23)(H,24,25)/p-1/t13-,17-/m0/s1