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

Systemtic Name: (2S,3R)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-valerate Formula: C19H24N3O3S- MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3O3S/c1-3-12(2)16(18(23)24)21-19(25)22-10-8-13(9-11-22)17-20-14-6-4-5-7-15(14)26-17/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,21,25)(H,23,24)/p-1/t12-,16+/m1/s1