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

Systemtic Name: 2-[5-[[4-(3-carbamimidoyl-5-phenylmethoxycarbonyl-pyridin-2-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(5-benzyloxycarbonyl-3-carbamimidoyl-2-pyridyl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(3-carbamimidoyl-5-phenylmethoxycarbonyl-2-pyridinyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(3-carbamimidoyl-5-phenylmethoxycarbonylpyridin-2-yl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(3-amidino-5-carbobenzoxy-2-pyridyl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C27H26N4O6 MolecularWeight: 502.51854

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1COC2=CC=C(C=C2)C3=C(C=C(C=N3)C(=O)OCC4=CC=CC=C4)C(=N)N)CC(=O)O

Isomeric SMILES

C1C(C(=O)NC1COC2=CC=C(C=C2)C3=C(C=C(C=N3)C(=O)OCC4=CC=CC=C4)C(=N)N)CC(=O)O

InChI

InChI=1S/C27H26N4O6/c28-25(29)22-11-19(27(35)37-14-16-4-2-1-3-5-16)13-30-24(22)17-6-8-21(9-7-17)36-15-20-10-18(12-23(32)33)26(34)31-20/h1-9,11,13,18,20H,10,12,14-15H2,(H3,28,29)(H,31,34)(H,32,33)