2-[[4-(3-carbamimidoylphenoxy)pyrrolidin-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-(3-carbamimidoylphenoxy)pyrrolidin-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(3-carbamimidoylphenoxy)pyrrolidine-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[4-(3-carbamimidoylphenoxy)-2-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(3-carbamimidoylphenoxy)pyrrolidine-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[4-(3-amidinophenoxy)prolyl]amino]glutaric acid Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CCC(=O)O)C(=O)O)OC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

C1C(CNC1C(=O)NC(CCC(=O)O)C(=O)O)OC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C17H22N4O6/c18-15(19)9-2-1-3-10(6-9)27-11-7-13(20-8-11)16(24)21-12(17(25)26)4-5-14(22)23/h1-3,6,11-13,20H,4-5,7-8H2,(H3,18,19)(H,21,24)(H,22,23)(H,25,26)