1-[(2S)-2-azanyl-4-methyl-pentanoyl]-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-azanyl-4-methyl-pentanoyl]-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-amino-4-methyl-pentanoyl]-N-[(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-amino-4-methyl-1-oxopentyl]-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-amino-4-methyl-pentanoyl]-N-[(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl]isonipecotamide Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O3/c1-15(2)13-20(24)23(30)27-11-9-19(10-12-27)22(29)26-17(4)21(28)25-14-18-7-5-16(3)6-8-18/h5-8,15,17,19-20H,9-14,24H2,1-4H3,(H,25,28)(H,26,29)/t17-,20-/m0/s1