3-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]amino]propanoic acid

Systemtic Name: 3-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-pyridin-2-yl]amino]propanoic acid Openeye Name: 3-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridyl]amino]propanoic acid CAS Name: 3-[[5-[(cyclohexylamino)-oxomethyl]-6-(propylthio)-2-pyridinyl]amino]propanoic acid IUPAC Name: 3-[[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]amino]propanoic acid Traditional Name: 3-[[5-(cyclohexylcarbamoyl)-6-(propylthio)-2-pyridyl]amino]propionic acid Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=N1)NCCC(=O)O)C(=O)NC2CCCCC2

Isomeric SMILES

CCCSC1=C(C=CC(=N1)NCCC(=O)O)C(=O)NC2CCCCC2

InChI

InChI=1S/C18H27N3O3S/c1-2-12-25-18-14(17(24)20-13-6-4-3-5-7-13)8-9-15(21-18)19-11-10-16(22)23/h8-9,13H,2-7,10-12H2,1H3,(H,19,21)(H,20,24)(H,22,23)