(1S,2S)-2-azanyl-1-(4-methylsulfanylphenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyl-oxane-2,4-dione

Systemtic Name: (1S,2S)-2-azanyl-1-(4-methylsulfanylphenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyl-oxane-2,4-dione Openeye Name: (1S,2S)-2-amino-1-(4-methylsulfanylphenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyl-tetrahydropyran-2,4-dione CAS Name: (1S,2S)-2-amino-1-[4-(methylthio)phenyl]propane-1,3-diol; (6R)-6-phenethyl-6-propyloxane-2,4-dione IUPAC Name: (1S,2S)-2-amino-1-(4-methylsulfanylphenyl)propane-1,3-diol; (6R)-6-phenethyl-6-propyloxane-2,4-dione Traditional Name: (1S,2S)-2-amino-1-[4-(methylthio)phenyl]propane-1,3-diol; (6R)-6-phenethyl-6-propyl-tetrahydropyran-2,4-quinone Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)CC(=O)O1)CCC2=CC=CC=C2.CSC1=CC=C(C=C1)C(C(CO)N)O

Isomeric SMILES

CCC[C@]1(CC(=O)CC(=O)O1)CCC2=CC=CC=C2.CSC1=CC=C(C=C1)[C@@H]([C@H](CO)N)O

InChI

InChI=1S/C16H20O3.C10H15NO2S/c1-2-9-16(12-14(17)11-15(18)19-16)10-8-13-6-4-3-5-7-13;1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h3-7H,2,8-12H2,1H3;2-5,9-10,12-13H,6,11H2,1H3/t16-;9-,10-/m10/s1