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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(=O)C(CC(C)C)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C2CCN(CC2)C(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C23H36N4O3/c1-5-17-6-8-19(9-7-17)26-21(28)16(4)25-22(29)18-10-12-27(13-11-18)23(30)20(24)14-15(2)3/h6-9,15-16,18,20H,5,10-14,24H2,1-4H3,(H,25,29)(H,26,28)/t16-,20-/m0/s1