2-[[S-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-N-phosphono-sulfonimidoyl]methyl]butanoic acid

Systemtic Name: 2-[[S-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-N-phosphono-sulfonimidoyl]methyl]butanoic acid Openeye Name: 2-[[S-(3-amino-4-hydroxy-4-oxo-butyl)-N-phosphono-sulfonimidoyl]methyl]butanoic acid CAS Name: 2-[[S-(3-amino-4-hydroxy-4-oxobutyl)-N-phosphonosulfonimidoyl]methyl]butanoic acid IUPAC Name: 2-[[S-(3-amino-4-hydroxy-4-oxobutyl)-N-phosphonosulfonimidoyl]methyl]butanoic acid Traditional Name: 2-[[S-(3-amino-4-hydroxy-4-keto-butyl)-N-phosphono-sulfonimidoyl]methyl]butyric acid Formula: C9H19N2O8PS MolecularWeight: 346.294521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N)C(=O)O

Isomeric SMILES

CCC(CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H19N2O8PS/c1-2-6(8(12)13)5-21(19,11-20(16,17)18)4-3-7(10)9(14)15/h6-7H,2-5,10H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)