4-[[4-(4-carbamimidoylphenyl)-3,6-dihydro-2H-pyridin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-(4-carbamimidoylphenyl)-3,6-dihydro-2H-pyridin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[benzyl-[4-(4-carbamimidoylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[benzyl-[4-(4-carbamimidoylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(4-amidinophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-benzyl-amino]cyclohexanecarboxylic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)N(CC2=CC=CC=C2)C(=O)N3CCC(=CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)N(CC2=CC=CC=C2)C(=O)N3CCC(=CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H32N4O3/c28-25(29)22-8-6-20(7-9-22)21-14-16-30(17-15-21)27(34)31(18-19-4-2-1-3-5-19)24-12-10-23(11-13-24)26(32)33/h1-9,14,23-24H,10-13,15-18H2,(H3,28,29)(H,32,33)