3-[[1-[(4-carbamimidoylphenyl)carbamoyl]pyrrolidin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]pyrrolidin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]pyrrolidine-2-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[(4-carbamimidoylanilino)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]pyrrolidine-2-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[(4-amidinophenyl)carbamoyl]prolyl]amino]-3-(3-pyridyl)propionic acid Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CC(N(C1)C(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C21H24N6O4/c22-19(23)13-5-7-15(8-6-13)25-21(31)27-10-2-4-17(27)20(30)26-16(11-18(28)29)14-3-1-9-24-12-14/h1,3,5-9,12,16-17H,2,4,10-11H2,(H3,22,23)(H,25,31)(H,26,30)(H,28,29)