2-[1-[[3-(pyridin-3-ylcarbonylamino)propanoylamino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[3-(pyridin-3-ylcarbonylamino)propanoylamino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[3-(pyridine-3-carbonylamino)propanoylamino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[1-oxo-3-[[oxo(3-pyridinyl)methyl]amino]propyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[3-(pyridine-3-carbonylamino)propanoylamino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[(3-nicotinamidopropanoylamino)methyl]cyclohexyl]acetic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)O)CNC(=O)CCNC(=O)C2=CN=CC=C2

Isomeric SMILES

C1CCC(CC1)(CC(=O)O)CNC(=O)CCNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H25N3O4/c22-15(6-10-20-17(25)14-5-4-9-19-12-14)21-13-18(11-16(23)24)7-2-1-3-8-18/h4-5,9,12H,1-3,6-8,10-11,13H2,(H,20,25)(H,21,22)(H,23,24)