4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-methyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]-methyl-amino]cyclohexanecarboxylic acid Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)N(C)C2CCC(CC2)C(=O)O)C(=O)NC3CCCCC3

Isomeric SMILES

CCCSC1=C(C=CC(=N1)N(C)C2CCC(CC2)C(=O)O)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H35N3O3S/c1-3-15-30-22-19(21(27)24-17-7-5-4-6-8-17)13-14-20(25-22)26(2)18-11-9-16(10-12-18)23(28)29/h13-14,16-18H,3-12,15H2,1-2H3,(H,24,27)(H,28,29)