3-[[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]benzoic acid

Systemtic Name: 3-[[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]benzoic acid Openeye Name: 3-[[[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-hydroxy-phosphoryl]methyl]benzoic acid CAS Name: 3-[[[(3S)-3-amino-4-hydroxy-4-oxobutyl]-hydroxyphosphoryl]methyl]benzoic acid IUPAC Name: 3-[[[(3S)-3-amino-4-hydroxy-4-oxobutyl]-hydroxyphosphoryl]methyl]benzoic acid Traditional Name: 3-[[[(3S)-3-amino-4-hydroxy-4-keto-butyl]-hydroxy-phosphoryl]methyl]benzoic acid Formula: C12H16NO6P MolecularWeight: 301.232301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CP(=O)(CCC(C(=O)O)N)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO6P/c13-10(12(16)17)4-5-20(18,19)7-8-2-1-3-9(6-8)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)(H,16,17)(H,18,19)/t10-/m0/s1