[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4/c1-15(2)20(22-18(24)12-17-9-5-4-6-10-17)21(26)27-14-19(25)23-11-7-8-16(3)13-23/h4-6,9-10,15-16,20H,7-8,11-14H2,1-3H3,(H,22,24)/t16-,20-/m0/s1