1-[(2S)-2-azanyl-3-methyl-butanoyl]-N-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-azanyl-3-methyl-butanoyl]-N-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-amino-3-methyl-1-oxobutyl]-N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]isonipecotamide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(=O)C(C(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C2CCN(CC2)C(=O)[C@H](C(C)C)N

InChI

InChI=1S/C21H32N4O3/c1-13(2)18(22)21(28)25-11-9-16(10-12-25)20(27)23-15(4)19(26)24-17-7-5-14(3)6-8-17/h5-8,13,15-16,18H,9-12,22H2,1-4H3,(H,23,27)(H,24,26)/t15-,18-/m0/s1