2-azanyl-4-methylsulfanyl-butanoic acid; 2-[bis(carboxymethyl)amino]ethanoic acid; 2-methoxybenzoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 2-[bis(carboxymethyl)amino]ethanoic acid; 2-methoxybenzoic acid Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 2-[bis(carboxymethyl)amino]acetic acid; 2-methoxybenzoic acid CAS Name: 2-amino-4-(methylthio)butanoic acid; 2-[bis(carboxymethyl)amino]acetic acid; 2-methoxybenzoic acid IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 2-[bis(carboxymethyl)amino]acetic acid; 2-methoxybenzoic acid Traditional Name: 2-amino-4-(methylthio)butyric acid; 2-[bis(carboxymethyl)amino]acetic acid; o-anisic acid Formula: C19H28N2O11S MolecularWeight: 492.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)O.CSCCC(C(=O)O)N.C(C(=O)O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)O.CSCCC(C(=O)O)N.C(C(=O)O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C8H8O3.C6H9NO6.C5H11NO2S/c1-11-7-5-3-2-4-6(7)8(9)10;8-4(9)1-7(2-5(10)11)3-6(12)13;1-9-3-2-4(6)5(7)8/h2-5H,1H3,(H,9,10);1-3H2,(H,8,9)(H,10,11)(H,12,13);4H,2-3,6H2,1H3,(H,7,8)