(phenylmethyl) 2-[4-[[(2S)-2-azanyl-4-phenyl-butanoyl]amino]phenyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[[(2S)-2-azanyl-4-phenyl-butanoyl]amino]phenyl]ethanoate Openeye Name: benzyl 2-[4-[[(2S)-2-amino-4-phenyl-butanoyl]amino]phenyl]acetate CAS Name: 2-[4-[[(2S)-2-amino-1-oxo-4-phenylbutyl]amino]phenyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[[(2S)-2-amino-4-phenylbutanoyl]amino]phenyl]acetate Traditional Name: 2-[4-[[(2S)-2-amino-4-phenyl-butanoyl]amino]phenyl]acetic acid benzyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NC2=CC=C(C=C2)CC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CC[C@@H](C(=O)NC2=CC=C(C=C2)CC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C25H26N2O3/c26-23(16-13-19-7-3-1-4-8-19)25(29)27-22-14-11-20(12-15-22)17-24(28)30-18-21-9-5-2-6-10-21/h1-12,14-15,23H,13,16-18,26H2,(H,27,29)/t23-/m0/s1