1-[(2S)-2-azanyl-4-methyl-pentanoyl]-N-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-azanyl-4-methyl-pentanoyl]-N-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-amino-4-methyl-pentanoyl]-N-[(1R)-1-benzyl-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-amino-4-methyl-1-oxopentyl]-N-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-amino-4-methyl-pentanoyl]-N-[(1R)-1-benzyl-2-keto-2-(p-anisylamino)ethyl]isonipecotamide Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)OC)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)OC)N

InChI

InChI=1S/C29H40N4O4/c1-20(2)17-25(30)29(36)33-15-13-23(14-16-33)27(34)32-26(18-21-7-5-4-6-8-21)28(35)31-19-22-9-11-24(37-3)12-10-22/h4-12,20,23,25-26H,13-19,30H2,1-3H3,(H,31,35)(H,32,34)/t25-,26+/m0/s1