2-azanyl-N-[1-cyclohexyl-3,4-bis(oxidanyl)-6-pyridin-2-yl-hexan-2-yl]-3-methylsulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[1-cyclohexyl-3,4-bis(oxidanyl)-6-pyridin-2-yl-hexan-2-yl]-3-methylsulfanyl-propanamide Openeye Name: 2-amino-N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridyl)pentyl]-3-methylsulfanyl-propanamide CAS Name: 2-amino-N-[1-cyclohexyl-3,4-dihydroxy-6-(2-pyridinyl)hexan-2-yl]-3-(methylthio)propanamide IUPAC Name: 2-amino-N-(1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl)-3-methylsulfanylpropanamide Traditional Name: 2-amino-N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridyl)pentyl]-3-(methylthio)propionamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)NC(CC1CCCCC1)C(C(CCC2=CC=CC=N2)O)O)N

Isomeric SMILES

CSCC(C(=O)NC(CC1CCCCC1)C(C(CCC2=CC=CC=N2)O)O)N

InChI

InChI=1S/C21H35N3O3S/c1-28-14-17(22)21(27)24-18(13-15-7-3-2-4-8-15)20(26)19(25)11-10-16-9-5-6-12-23-16/h5-6,9,12,15,17-20,25-26H,2-4,7-8,10-11,13-14,22H2,1H3,(H,24,27)