(2S,3S)-2-azanyl-1-cyclohexyl-5-[5-(hydroxymethyl)-1-methyl-imidazol-2-yl]sulfanyl-pentan-3-ol

Systemtic Name: (2S,3S)-2-azanyl-1-cyclohexyl-5-[5-(hydroxymethyl)-1-methyl-imidazol-2-yl]sulfanyl-pentan-3-ol Openeye Name: (2S,3S)-2-amino-1-cyclohexyl-5-[5-(hydroxymethyl)-1-methyl-imidazol-2-yl]sulfanyl-pentan-3-ol CAS Name: (2S,3S)-2-amino-1-cyclohexyl-5-[[5-(hydroxymethyl)-1-methyl-2-imidazolyl]thio]-3-pentanol IUPAC Name: (2S,3S)-2-amino-1-cyclohexyl-5-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylpentan-3-ol Traditional Name: (2S,3S)-2-amino-1-cyclohexyl-5-[(1-methyl-5-methylol-imidazol-2-yl)thio]pentan-3-ol Formula: C16H29N3O2S MolecularWeight: 327.48536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCCC(C(CC2CCCCC2)N)O)CO

Isomeric SMILES

CN1C(=CN=C1SCC[C@@H]([C@H](CC2CCCCC2)N)O)CO

InChI

InChI=1S/C16H29N3O2S/c1-19-13(11-20)10-18-16(19)22-8-7-15(21)14(17)9-12-5-3-2-4-6-12/h10,12,14-15,20-21H,2-9,11,17H2,1H3/t14-,15-/m0/s1