2-[5-[[3-carbamimidoyl-4-(4-phenylmethoxycarbonylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[3-carbamimidoyl-4-(4-phenylmethoxycarbonylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(4-benzyloxycarbonylphenyl)-3-carbamimidoyl-phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[3-carbamimidoyl-4-(4-phenylmethoxycarbonylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[3-carbamimidoyl-4-(4-phenylmethoxycarbonylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[3-amidino-4-(4-carbobenzoxyphenyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N)CC(=O)O

Isomeric SMILES

C1C(C(=O)NC1COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N)CC(=O)O

InChI

InChI=1S/C28H27N3O6/c29-26(30)24-14-22(36-16-21-12-20(13-25(32)33)27(34)31-21)10-11-23(24)18-6-8-19(9-7-18)28(35)37-15-17-4-2-1-3-5-17/h1-11,14,20-21H,12-13,15-16H2,(H3,29,30)(H,31,34)(H,32,33)