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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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