methyl 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-phenylmethoxycarbonyl-amino]-3-(4H-imidazol-4-yl)propanoate

Systemtic Name: methyl 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-phenylmethoxycarbonyl-amino]-3-(4H-imidazol-4-yl)propanoate Openeye Name: methyl 2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-benzyloxycarbonyl-amino]-3-(4H-imidazol-4-yl)propanoate CAS Name: 2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]-phenylmethoxycarbonylamino]-3-(4H-imidazol-4-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]-phenylmethoxycarbonylamino]-3-(4H-imidazol-4-yl)propanoate Traditional Name: 2-[carbobenzoxy-[3-phenyl-2-(phenylalanylamino)propanoyl]amino]-3-(4H-imidazol-4-yl)propionic acid methyl ester Formula: C33H35N5O6 MolecularWeight: 597.6609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1C=NC=N1)N(C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1C=NC=N1)N(C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H35N5O6/c1-43-32(41)29(19-26-20-35-22-36-26)38(33(42)44-21-25-15-9-4-10-16-25)31(40)28(18-24-13-7-3-8-14-24)37-30(39)27(34)17-23-11-5-2-6-12-23/h2-16,20,22,26-29H,17-19,21,34H2,1H3,(H,37,39)