(2S,3R)-3-phosphonatooxy-2-(7-sulfanylheptanoylamino)butanoate

Systemtic Name: (2S,3R)-3-phosphonatooxy-2-(7-sulfanylheptanoylamino)butanoate Openeye Name: (2S,3R)-3-phosphonatooxy-2-(7-sulfanylheptanoylamino)butanoate CAS Name: (2S,3R)-2-[(7-mercapto-1-oxoheptyl)amino]-3-phosphonatooxybutanoate IUPAC Name: (2S,3R)-3-phosphonatooxy-2-(7-sulfanylheptanoylamino)butanoate Traditional Name: (2S,3R)-2-(7-mercaptoheptanoylamino)-3-phosphato-butyrate Formula: C11H19NO7PS-3 MolecularWeight: 340.309821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)CCCCCCS)OP(=O)([O-])[O-]

Isomeric SMILES

C[C@H]([C@@H](C(=O)[O-])NC(=O)CCCCCCS)OP(=O)([O-])[O-]

InChI

InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/p-3/t8-,10+/m1/s1