(3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-phenyl-3-(pyridin-3-ylmethylamino)butanamide

Systemtic Name: (3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-phenyl-3-(pyridin-3-ylmethylamino)butanamide Openeye Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-4-phenyl-3-(3-pyridylmethylamino)butanamide CAS Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-3-(3-pyridinylmethylamino)butanamide IUPAC Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-3-(pyridin-3-ylmethylamino)butanamide Traditional Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-4-phenyl-3-(3-pyridylmethylamino)butyramide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)NC(CC2=CC=CC=C2)C(=O)N)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NCC3=CN=CC=C3

InChI

InChI=1S/C25H28N4O2/c26-25(31)23(15-20-10-5-2-6-11-20)29-24(30)16-22(14-19-8-3-1-4-9-19)28-18-21-12-7-13-27-17-21/h1-13,17,22-23,28H,14-16,18H2,(H2,26,31)(H,29,30)/t22-,23-/m0/s1