2-[1-[[[2-(4-carbamimidoylphenoxy)phenyl]carbonylamino]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[[[2-(4-carbamimidoylphenoxy)phenyl]carbonylamino]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-[[[2-(4-carbamimidoylphenoxy)benzoyl]amino]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-[[[[2-(4-carbamimidoylphenoxy)phenyl]-oxomethyl]amino]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-[[[2-(4-carbamimidoylphenoxy)benzoyl]amino]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[1-[[[2-(4-amidinophenoxy)benzoyl]amino]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CC(=O)O)CNC(=O)C2=CC=CC=C2OC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1CC(=O)O)CNC(=O)C2=CC=CC=C2OC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O5/c22-19(23)13-5-7-15(8-6-13)30-17-4-2-1-3-16(17)20(28)24-12-25-10-9-14(21(25)29)11-18(26)27/h1-8,14H,9-12H2,(H3,22,23)(H,24,28)(H,26,27)