(phenylmethyl) N-[(2S)-1-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(2-amino-3-phenyl-propanoyl)amino]methyl]-2-phenyl-ethyl]carbamate CAS Name: N-[(2S)-1-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-(phenylalanylamino)ethyl]carbamic acid benzyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CNC(=O)C(CC2=CC=CC=C2)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CNC(=O)C(CC2=CC=CC=C2)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3/c27-24(17-21-12-6-2-7-13-21)25(30)28-18-23(16-20-10-4-1-5-11-20)29-26(31)32-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19,27H2,(H,28,30)(H,29,31)/t23-,24?/m0/s1