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

Systemtic Name: 2-[[4-(3-carbamimidoylphenoxy)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(3-carbamimidoylphenoxy)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-(3-carbamimidoylphenoxy)-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(3-carbamimidoylphenoxy)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(3-amidinophenoxy)prolyl]amino]-3-phenyl-propionic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1C(CNC1C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H24N4O4/c22-19(23)14-7-4-8-15(10-14)29-16-11-17(24-12-16)20(26)25-18(21(27)28)9-13-5-2-1-3-6-13/h1-8,10,16-18,24H,9,11-12H2,(H3,22,23)(H,25,26)(H,27,28)