(2R)-2-[(5S,6S)-6-azanyl-5-oxidanyl-cyclohexa-1,3-dien-1-yl]carbonyloxypropanoic acid

Systemtic Name: (2R)-2-[(5S,6S)-6-azanyl-5-oxidanyl-cyclohexa-1,3-dien-1-yl]carbonyloxypropanoic acid Openeye Name: (2R)-2-[(5S,6S)-6-amino-5-hydroxy-cyclohexa-1,3-diene-1-carbonyl]oxypropanoic acid CAS Name: (2R)-2-[[(5S,6S)-6-amino-5-hydroxy-1-cyclohexa-1,3-dienyl]-oxomethoxy]propanoic acid IUPAC Name: (2R)-2-[(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carbonyl]oxypropanoic acid Traditional Name: (2R)-2-[(5S,6S)-6-amino-5-hydroxy-cyclohexa-1,3-diene-1-carbonyl]oxypropionic acid Formula: C10H13NO5 MolecularWeight: 227.21392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC(=O)C1=CC=CC(C1N)O

Isomeric SMILES

C[C@H](C(=O)O)OC(=O)C1=CC=C[C@@H]([C@H]1N)O

InChI

InChI=1S/C10H13NO5/c1-5(9(13)14)16-10(15)6-3-2-4-7(12)8(6)11/h2-5,7-8,12H,11H2,1H3,(H,13,14)/t5-,7+,8+/m1/s1