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

Systemtic Name: (3S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(1H-indol-3-ylmethylamino)-4-phenyl-butanamide Openeye Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-3-(1H-indol-3-ylmethylamino)-4-phenyl-butanamide CAS Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(1H-indol-3-ylmethylamino)-4-phenylbutanamide IUPAC Name: (3S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(1H-indol-3-ylmethylamino)-4-phenylbutanamide Traditional Name: (3S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-3-(1H-indol-3-ylmethylamino)-4-phenyl-butyramide Formula: C28H30N4O2 MolecularWeight: 454.5634

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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=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C28H30N4O2/c29-28(34)26(16-21-11-5-2-6-12-21)32-27(33)17-23(15-20-9-3-1-4-10-20)30-18-22-19-31-25-14-8-7-13-24(22)25/h1-14,19,23,26,30-31H,15-18H2,(H2,29,34)(H,32,33)/t23-,26-/m0/s1