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

Systemtic Name: 1-[(2S)-2-azanyl-3-methyl-butanoyl]-N-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-1-benzyl-2-(4-ethoxyanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-amino-3-methyl-1-oxobutyl]-N-[(2S)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-amino-3-methyl-butanoyl]-N-[(1S)-1-benzyl-2-keto-2-(p-phenetidino)ethyl]isonipecotamide Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)C(C(C)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CCN(CC3)C(=O)[C@H](C(C)C)N

InChI

InChI=1S/C28H38N4O4/c1-4-36-23-12-10-22(11-13-23)30-27(34)24(18-20-8-6-5-7-9-20)31-26(33)21-14-16-32(17-15-21)28(35)25(29)19(2)3/h5-13,19,21,24-25H,4,14-18,29H2,1-3H3,(H,30,34)(H,31,33)/t24-,25-/m0/s1