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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)NC(C)C(=O)NC(C)C2=CC=CC=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)/t16?,17-,20-/m0/s1