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

Systemtic Name: 1-[(2S)-2-azanyl-3-methyl-butanoyl]-N-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-amino-3-methyl-1-oxobutyl]-N-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]isonipecotamide Formula: C22H34N4O3 MolecularWeight: 402.53036

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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(C(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3/c1-5-16-6-8-18(9-7-16)25-20(27)15(4)24-21(28)17-10-12-26(13-11-17)22(29)19(23)14(2)3/h6-9,14-15,17,19H,5,10-13,23H2,1-4H3,(H,24,28)(H,25,27)/t15-,19-/m0/s1