2-[methyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioic acid

Systemtic Name: 2-[methyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioic acid Openeye Name: 2-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)-methyl-amino]butanedioic acid CAS Name: 2-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)-methylamino]butanedioic acid IUPAC Name: 2-[(4-hydroxy-4-oxo-3-sulfobutanoyl)-methylamino]butanedioic acid Traditional Name: 2-[(4-hydroxy-4-keto-3-sulfo-butanoyl)-methyl-amino]succinic acid Formula: C9H13NO10S MolecularWeight: 327.26522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CN(C(CC(=O)O)C(=O)O)C(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H13NO10S/c1-10(4(8(14)15)2-7(12)13)6(11)3-5(9(16)17)21(18,19)20/h4-5H,2-3H2,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19,20)