3-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(3S)-3-amino-4-hydroxy-4-oxo-butyl]pyrazine-2-carboxylic acid CAS Name: 3-[(3S)-3-amino-4-hydroxy-4-oxobutyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(3S)-3-amino-4-hydroxy-4-oxobutyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(3S)-3-amino-4-hydroxy-4-keto-butyl]pyrazinoic acid Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C(=N1)CCC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CN=C(C(=N1)CC[C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H11N3O4/c10-5(8(13)14)1-2-6-7(9(15)16)12-4-3-11-6/h3-5H,1-2,10H2,(H,13,14)(H,15,16)/t5-/m0/s1