(2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-valerate Formula: C19H25N4O3- MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H26N4O3/c1-3-12(2)16(18(24)25)22-19(26)23-10-8-13(9-11-23)17-20-14-6-4-5-7-15(14)21-17/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,20,21)(H,22,26)(H,24,25)/p-1/t12-,16+/m1/s1