(3S,6S)-2-[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]-1,2-oxazinane-3,6-dicarboxylic acid

Systemtic Name: (3S,6S)-2-[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]-1,2-oxazinane-3,6-dicarboxylic acid Openeye Name: (3S,6S)-2-[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]oxazinane-3,6-dicarboxylic acid CAS Name: (3S,6S)-2-[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]oxazinane-3,6-dicarboxylic acid IUPAC Name: (3S,6S)-2-[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]oxazinane-3,6-dicarboxylic acid Traditional Name: (3S,6S)-2-[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]oxazinane-3,6-dicarboxylic acid Formula: C12H16N2O9 MolecularWeight: 332.26344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)C(=O)N1C(CCC(O1)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)N1[C@@H](CC[C@H](O1)C(=O)O)C(=O)O

InChI

InChI=1S/C12H16N2O9/c1-5(15)13-6(4-9(16)17)10(18)14-7(11(19)20)2-3-8(23-14)12(21)22/h6-8H,2-4H2,1H3,(H,13,15)(H,16,17)(H,19,20)(H,21,22)/t6-,7-,8-/m0/s1