3-[3-(1-aminocarbonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrrol-1-yl]-4-oxidanylidene-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[3-(1-aminocarbonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrrol-1-yl]-4-oxidanylidene-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-ethyl)amino]-3-[3-(1-carbamoyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrrol-1-yl]-4-oxo-butanoic acid CAS Name: 3-[3-(1-carbamoyl-4-phenyl-1-cyclohexa-2,5-dienyl)-1-pyrrolyl]-4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[3-(1-carbamoyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrrol-1-yl]-4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-hydroxy-ethyl)amino]-3-[3-(1-carbamoyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrrol-1-yl]-4-keto-butyric acid Formula: C30H31N3O5 MolecularWeight: 513.58424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)NC(=O)C(CC(=O)O)N2C=CC(=C2)C3(C=CC(C=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)NC(=O)C(CC(=O)O)N2C=CC(=C2)C3(C=CC(C=C3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C30H31N3O5/c31-29(38)30(14-11-23(12-15-30)22-9-5-2-6-10-22)24-13-16-33(19-24)26(18-27(35)36)28(37)32-25(20-34)17-21-7-3-1-4-8-21/h1-16,19,23,25-26,34H,17-18,20H2,(H2,31,38)(H,32,37)(H,35,36)