5-[2-[1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]-2-azanyl-benzoic acid

Systemtic Name: 5-[2-[1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]-2-azanyl-benzoic acid Openeye Name: 2-amino-5-[2-[1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenyl-ethyl]-4-pyridyl]benzoic acid CAS Name: 2-amino-5-[2-[1-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-2-phenylethyl]-4-pyridinyl]benzoic acid IUPAC Name: 2-amino-5-[2-[1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]pyridin-4-yl]benzoic acid Traditional Name: 2-amino-5-[2-[1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenyl-ethyl]-4-pyridyl]benzoic acid Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=NC=CC(=C3)C4=CC(=C(C=C4)N)C(=O)O

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=NC=CC(=C3)C4=CC(=C(C=C4)N)C(=O)O

InChI

InChI=1S/C28H32N4O3/c29-17-19-6-8-20(9-7-19)27(33)32-26(14-18-4-2-1-3-5-18)25-16-22(12-13-31-25)21-10-11-24(30)23(15-21)28(34)35/h1-5,10-13,15-16,19-20,26H,6-9,14,17,29-30H2,(H,32,33)(H,34,35)