(2S)-2-azanylbutanedioic acid; (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; N-(4-hydroxyphenyl)ethanamide

Systemtic Name: (2S)-2-azanylbutanedioic acid; (2S)-2-azanyl-4-methylsulfanyl-butanoic acid; N-(4-hydroxyphenyl)ethanamide Openeye Name: (2S)-2-aminobutanedioic acid; (2S)-2-amino-4-methylsulfanyl-butanoic acid; N-(4-hydroxyphenyl)acetamide CAS Name: (2S)-2-aminobutanedioic acid; (2S)-2-amino-4-(methylthio)butanoic acid; N-(4-hydroxyphenyl)acetamide IUPAC Name: (2S)-2-aminobutanedioic acid; (2S)-2-amino-4-methylsulfanylbutanoic acid; N-(4-hydroxyphenyl)acetamide Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid; (2S)-2-aminosuccinic acid; N-(4-hydroxyphenyl)acetamide Formula: C17H27N3O8S MolecularWeight: 433.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)O.CSCCC(C(=O)O)N.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)O.CSCC[C@@H](C(=O)O)N.C([C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C8H9NO2.C5H11NO2S.C4H7NO4/c1-6(10)9-7-2-4-8(11)5-3-7;1-9-3-2-4(6)5(7)8;5-2(4(8)9)1-3(6)7/h2-5,11H,1H3,(H,9,10);4H,2-3,6H2,1H3,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9)/t;4-;2-/m.00/s1