2-azanylbutanedioic acid; 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanylbutanedioic acid; 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-aminobutanedioic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-4-methylsulfanyl-butanoic acid CAS Name: 2-aminobutanedioic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-4-(methylthio)butanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 2-amino-4-(methylthio)butyric acid; 2-aminosuccinic acid Formula: C18H29N3O9S MolecularWeight: 463.50256

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C1=CC(=CC=C1CC(C(=O)O)N)O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CSCCC(C(=O)O)N.C1=CC(=CC=C1CC(C(=O)O)N)O.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H11NO3.C5H11NO2S.C4H7NO4/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-9-3-2-4(6)5(7)8;5-2(4(8)9)1-3(6)7/h1-4,8,11H,5,10H2,(H,12,13);4H,2-3,6H2,1H3,(H,7,8);2H,1,5H2,(H,6,7)(H,8,9)