1-[(3-acetamido-2-oxidanyl-propanoyl)amino]-2-sulfo-cyclopropane-1-carboxylic acid

Systemtic Name: 1-[(3-acetamido-2-oxidanyl-propanoyl)amino]-2-sulfo-cyclopropane-1-carboxylic acid Openeye Name: 1-[(3-acetamido-2-hydroxy-propanoyl)amino]-2-sulfo-cyclopropanecarboxylic acid CAS Name: 1-[(3-acetamido-2-hydroxy-1-oxopropyl)amino]-2-sulfo-1-cyclopropanecarboxylic acid IUPAC Name: 1-[(3-acetamido-2-hydroxypropanoyl)amino]-2-sulfocyclopropane-1-carboxylic acid Traditional Name: 1-[(3-acetamido-2-hydroxy-propanoyl)amino]-2-sulfo-cyclopropanecarboxylic acid Formula: C9H14N2O8S MolecularWeight: 310.28106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C(=O)NC1(CC1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CC(=O)NCC(C(=O)NC1(CC1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C9H14N2O8S/c1-4(12)10-3-5(13)7(14)11-9(8(15)16)2-6(9)20(17,18)19/h5-6,13H,2-3H2,1H3,(H,10,12)(H,11,14)(H,15,16)(H,17,18,19)