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

Systemtic Name: 1-[(2S)-2-azanyl-4-methyl-pentanoyl]-N-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-amino-4-methyl-pentanoyl]-N-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-amino-4-methyl-1-oxopentyl]-N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-amino-4-methyl-pentanoyl]-N-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]isonipecotamide Formula: C22H34N4O3 MolecularWeight: 402.53036

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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(CC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3/c1-14(2)13-19(23)22(29)26-11-9-17(10-12-26)21(28)24-16(4)20(27)25-18-7-5-15(3)6-8-18/h5-8,14,16-17,19H,9-13,23H2,1-4H3,(H,24,28)(H,25,27)/t16-,19-/m0/s1