(2R,4R)-2-azanyl-4-[3-(hydroxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-4-phenyl-butan-1-ol

Systemtic Name: (2R,4R)-2-azanyl-4-[3-(hydroxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-4-phenyl-butan-1-ol Openeye Name: (2R,4R)-2-amino-4-[[3-(hydroxymethyl)-6-methyl-2-pyridyl]sulfanyl]-4-phenyl-butan-1-ol CAS Name: (2R,4R)-2-amino-4-[[3-(hydroxymethyl)-6-methyl-2-pyridinyl]thio]-4-phenyl-1-butanol IUPAC Name: (2R,4R)-2-amino-4-[3-(hydroxymethyl)-6-methylpyridin-2-yl]sulfanyl-4-phenylbutan-1-ol Traditional Name: (2R,4R)-2-amino-4-[(6-methyl-3-methylol-2-pyridyl)thio]-4-phenyl-butan-1-ol Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)CO)SC(CC(CO)N)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(C=C1)CO)S[C@H](C[C@H](CO)N)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2S/c1-12-7-8-14(10-20)17(19-12)22-16(9-15(18)11-21)13-5-3-2-4-6-13/h2-8,15-16,20-21H,9-11,18H2,1H3/t15-,16-/m1/s1