4-[[4-[5-(aminomethyl)pyridin-2-yl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-[5-(aminomethyl)pyridin-2-yl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-[5-(aminomethyl)-2-pyridyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-[5-(aminomethyl)-2-pyridinyl]-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-[5-(aminomethyl)pyridin-2-yl]piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-[5-(aminomethyl)-2-pyridyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)CN

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)CN

InChI

InChI=1S/C18H27N5O3/c19-11-13-1-6-16(20-12-13)22-7-9-23(10-8-22)18(26)21-15-4-2-14(3-5-15)17(24)25/h1,6,12,14-15H,2-5,7-11,19H2,(H,21,26)(H,24,25)