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

Systemtic Name: (3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-phenyl-3-(pyridin-4-ylmethylamino)butanamide Openeye Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-4-phenyl-3-(4-pyridylmethylamino)butanamide CAS Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-3-(pyridin-4-ylmethylamino)butanamide IUPAC Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-phenyl-3-(pyridin-4-ylmethylamino)butanamide Traditional Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-4-phenyl-3-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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