(2S)-2-azanyl-4-methylsulfanyl-butanoic acid; 1-(1H-imidazol-5-yl)-3-(3-phenylphenyl)propan-1-one

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; 1-(1H-imidazol-5-yl)-3-(3-phenylphenyl)propan-1-one Openeye Name: (2S)-2-amino-4-methylsulfanyl-butanoic acid; 1-(1H-imidazol-5-yl)-3-(3-phenylphenyl)propan-1-one CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid; 1-(1H-imidazol-5-yl)-3-(3-phenylphenyl)-1-propanone IUPAC Name: (2S)-2-amino-4-methylsulfanylbutanoic acid; 1-(1H-imidazol-5-yl)-3-(3-phenylphenyl)propan-1-one Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid; 1-(1H-imidazol-5-yl)-3-(3-phenylphenyl)propan-1-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C1=CC=C(C=C1)C2=CC(=CC=C2)CCC(=O)C3=CN=CN3

Isomeric SMILES

CSCC[C@@H](C(=O)O)N.C1=CC=C(C=C1)C2=CC(=CC=C2)CCC(=O)C3=CN=CN3

InChI

InChI=1S/C18H16N2O.C5H11NO2S/c21-18(17-12-19-13-20-17)10-9-14-5-4-8-16(11-14)15-6-2-1-3-7-15;1-9-3-2-4(6)5(7)8/h1-8,11-13H,9-10H2,(H,19,20);4H,2-3,6H2,1H3,(H,7,8)/t;4-/m.0/s1