(2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-(4-fluorophenyl)carbonyl-amino]-1-ethanoyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-(4-fluorophenyl)carbonyl-amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-(4-fluorobenzoyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-[(4-fluorophenyl)-oxomethyl]amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-(4-fluorobenzoyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropyl-(4-fluorobenzoyl)amino]pipecolinamide Formula: C26H37FN4O3 MolecularWeight: 472.595383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NCC2CCC(CC2)CN)N(C3CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NCC2CCC(CC2)CN)N(C3CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H37FN4O3/c1-17(32)30-13-12-23(31(22-10-11-22)26(34)20-6-8-21(27)9-7-20)14-24(30)25(33)29-16-19-4-2-18(15-28)3-5-19/h6-9,18-19,22-24H,2-5,10-16,28H2,1H3,(H,29,33)/t18?,19?,23?,24-/m1/s1