4-oxidanylidene-4-[(1-phenyl-2-phenylmethoxycarbonyloxy-ethyl)amino]-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(1-phenyl-2-phenylmethoxycarbonyloxy-ethyl)amino]-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Openeye Name: 4-[(2-benzyloxycarbonyloxy-1-phenyl-ethyl)amino]-4-oxo-2-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butanoic acid CAS Name: 4-oxo-4-[(1-phenyl-2-phenylmethoxycarbonyloxyethyl)amino]-2-[3-(4-pyridin-4-ylphenyl)-1-pyrrolyl]butanoic acid IUPAC Name: 4-oxo-4-[(1-phenyl-2-phenylmethoxycarbonyloxyethyl)amino]-2-[3-(4-pyridin-4-ylphenyl)pyrrol-1-yl]butanoic acid Traditional Name: 4-[(2-carbobenzoxyoxy-1-phenyl-ethyl)amino]-4-keto-2-[3-[4-(4-pyridyl)phenyl]pyrrol-1-yl]butyric acid Formula: C35H31N3O6 MolecularWeight: 589.63714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)OCC(C2=CC=CC=C2)NC(=O)CC(C(=O)O)N3C=CC(=C3)C4=CC=C(C=C4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)OCC(C2=CC=CC=C2)NC(=O)CC(C(=O)O)N3C=CC(=C3)C4=CC=C(C=C4)C5=CC=NC=C5

InChI

InChI=1S/C35H31N3O6/c39-33(37-31(29-9-5-2-6-10-29)24-44-35(42)43-23-25-7-3-1-4-8-25)21-32(34(40)41)38-20-17-30(22-38)27-13-11-26(12-14-27)28-15-18-36-19-16-28/h1-20,22,31-32H,21,23-24H2,(H,37,39)(H,40,41)