2-[1-[[3-carbamimidoyl-4-(4-phenylmethoxycarbonylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[[3-carbamimidoyl-4-(4-phenylmethoxycarbonylphenyl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-[[4-(4-benzyloxycarbonylphenyl)-3-carbamimidoyl-phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-[[3-carbamimidoyl-4-(4-phenylmethoxycarbonylphenyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-[[3-carbamimidoyl-4-(4-phenylmethoxycarbonylphenyl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-[[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:

C1CN(C(=O)C1CC(=O)O)COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1CC(=O)O)COC2=CC(=C(C=C2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

InChI

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