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

Systemtic Name: 4-[[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]-oxidanyl-methyl]benzoic acid Openeye Name: 4-[[[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-hydroxy-phosphoryl]-hydroxy-methyl]benzoic acid CAS Name: 4-[[[(3S)-3-amino-4-hydroxy-4-oxobutyl]-hydroxyphosphoryl]-hydroxymethyl]benzoic acid IUPAC Name: 4-[[[(3S)-3-amino-4-hydroxy-4-oxobutyl]-hydroxyphosphoryl]-hydroxymethyl]benzoic acid Traditional Name: 4-[[[(3S)-3-amino-4-hydroxy-4-keto-butyl]-hydroxy-phosphoryl]-hydroxy-methyl]benzoic acid Formula: C12H16NO7P MolecularWeight: 317.231701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(O)P(=O)(CCC(C(=O)O)N)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(O)P(=O)(CC[C@@H](C(=O)O)N)O)C(=O)O

InChI

InChI=1S/C12H16NO7P/c13-9(11(16)17)5-6-21(19,20)12(18)8-3-1-7(2-4-8)10(14)15/h1-4,9,12,18H,5-6,13H2,(H,14,15)(H,16,17)(H,19,20)/t9-,12?/m0/s1