[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (2S,3S)-2-benzamido-3-methyl-pentanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (2S,3S)-2-benzamido-3-methyl-pentanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] (2S,3S)-2-benzamido-3-methyl-pentanoate CAS Name: (2S,3S)-2-benzamido-3-methylpentanoic acid [(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S,3S)-2-benzamido-3-methylpentanoate Traditional Name: (2S,3S)-2-benzamido-3-methyl-valeric acid [(1S)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)C(=O)N1CCCCC1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O[C@@H](C)C(=O)N1CCCCC1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4/c1-4-15(2)18(22-19(24)17-11-7-5-8-12-17)21(26)27-16(3)20(25)23-13-9-6-10-14-23/h5,7-8,11-12,15-16,18H,4,6,9-10,13-14H2,1-3H3,(H,22,24)/t15-,16-,18-/m0/s1