2-[(3-acetamido-2-oxidanyl-propanoyl)amino]-4-sulfo-butanoic acid

Systemtic Name: 2-[(3-acetamido-2-oxidanyl-propanoyl)amino]-4-sulfo-butanoic acid Openeye Name: 2-[(3-acetamido-2-hydroxy-propanoyl)amino]-4-sulfo-butanoic acid CAS Name: 2-[(3-acetamido-2-hydroxy-1-oxopropyl)amino]-4-sulfobutanoic acid IUPAC Name: 2-[(3-acetamido-2-hydroxypropanoyl)amino]-4-sulfobutanoic acid Traditional Name: 2-[(3-acetamido-2-hydroxy-propanoyl)amino]-4-sulfo-butyric acid Formula: C9H16N2O8S MolecularWeight: 312.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C(=O)NC(CCS(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CC(=O)NCC(C(=O)NC(CCS(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C9H16N2O8S/c1-5(12)10-4-7(13)8(14)11-6(9(15)16)2-3-20(17,18)19/h6-7,13H,2-4H2,1H3,(H,10,12)(H,11,14)(H,15,16)(H,17,18,19)