1-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 1-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-4-oxidanyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 1-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-4-hydroxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 1-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-4-hydroxy-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 1-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 1-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-4-hydroxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C10H13NO5 MolecularWeight: 227.21392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1O)(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC(C=CC1O)(C[C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/t6?,7-,10?/m0/s1