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

Systemtic Name: 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]piperidin-4-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]piperidine-4-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[(4-carbamimidoylanilino)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]piperidine-4-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[(4-amidinophenyl)carbamoyl]isonipecotoyl]amino]-3-(3-pyridyl)propionic acid Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)O)C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)O)C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N6O4/c23-20(24)14-3-5-17(6-4-14)26-22(32)28-10-7-15(8-11-28)21(31)27-18(12-19(29)30)16-2-1-9-25-13-16/h1-6,9,13,15,18H,7-8,10-12H2,(H3,23,24)(H,26,32)(H,27,31)(H,29,30)