(3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-[(4-imidazol-1-ylphenyl)methylamino]-4-phenyl-butanamide

Systemtic Name: (3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-[(4-imidazol-1-ylphenyl)methylamino]-4-phenyl-butanamide Openeye Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-3-[(4-imidazol-1-ylphenyl)methylamino]-4-phenyl-butanamide CAS Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-[[4-(1-imidazolyl)phenyl]methylamino]-4-phenylbutanamide IUPAC Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-[(4-imidazol-1-ylphenyl)methylamino]-4-phenylbutanamide Traditional Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-3-[(4-imidazol-1-ylbenzyl)amino]-4-phenyl-butyramide Formula: C29H31N5O2 MolecularWeight: 481.58874

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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=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NCC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C29H31N5O2/c30-29(36)27(18-23-9-5-2-6-10-23)33-28(35)19-25(17-22-7-3-1-4-8-22)32-20-24-11-13-26(14-12-24)34-16-15-31-21-34/h1-16,21,25,27,32H,17-20H2,(H2,30,36)(H,33,35)/t25-,27-/m0/s1