(2S)-2-azanyl-4-[[(4-methylsulfonylphenyl)-oxidanyl-methyl]-oxidanyl-phosphoryl]butanoic acid

Systemtic Name: (2S)-2-azanyl-4-[[(4-methylsulfonylphenyl)-oxidanyl-methyl]-oxidanyl-phosphoryl]butanoic acid Openeye Name: (2S)-2-amino-4-[hydroxy-[hydroxy-(4-methylsulfonylphenyl)methyl]phosphoryl]butanoic acid CAS Name: (2S)-2-amino-4-[hydroxy-[hydroxy-(4-methylsulfonylphenyl)methyl]phosphoryl]butanoic acid IUPAC Name: (2S)-2-amino-4-[hydroxy-[hydroxy-(4-methylsulfonylphenyl)methyl]phosphoryl]butanoic acid Traditional Name: (2S)-2-amino-4-[hydroxy-[hydroxy-(4-mesylphenyl)methyl]phosphoryl]butyric acid Formula: C12H18NO7PS MolecularWeight: 351.312581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO7PS/c1-22(19,20)9-4-2-8(3-5-9)12(16)21(17,18)7-6-10(13)11(14)15/h2-5,10,12,16H,6-7,13H2,1H3,(H,14,15)(H,17,18)/t10-,12?/m0/s1