methyl (2R,3R)-2-[(3-cyanophenyl)methyl]-5-phenyl-3-[(4-phenylphenyl)carbonylamino]pentanoate

Systemtic Name: methyl (2R,3R)-2-[(3-cyanophenyl)methyl]-5-phenyl-3-[(4-phenylphenyl)carbonylamino]pentanoate Openeye Name: methyl (2R,3R)-2-[(3-cyanophenyl)methyl]-5-phenyl-3-[(4-phenylbenzoyl)amino]pentanoate CAS Name: (2R,3R)-2-[(3-cyanophenyl)methyl]-3-[[oxo-(4-phenylphenyl)methyl]amino]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (2R,3R)-2-[(3-cyanophenyl)methyl]-5-phenyl-3-[(4-phenylbenzoyl)amino]pentanoate Traditional Name: (2R,3R)-2-(3-cyanobenzyl)-5-phenyl-3-[(4-phenylbenzoyl)amino]valeric acid methyl ester Formula: C33H30N2O3 MolecularWeight: 502.6029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C#N)C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC(=C1)C#N)[C@@H](CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H30N2O3/c1-38-33(37)30(22-25-11-8-12-26(21-25)23-34)31(20-15-24-9-4-2-5-10-24)35-32(36)29-18-16-28(17-19-29)27-13-6-3-7-14-27/h2-14,16-19,21,30-31H,15,20,22H2,1H3,(H,35,36)/t30-,31-/m1/s1