S-phenyl 3-[[(2R)-4-dimethoxyphosphoryloxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanethioate

Systemtic Name: S-phenyl 3-[[(2R)-4-dimethoxyphosphoryloxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanethioate Openeye Name: S-phenyl 3-[[(2R)-4-dimethoxyphosphoryloxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanethioate CAS Name: 3-[[(2R)-4-dimethoxyphosphoryloxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]propanethioic acid S-phenyl ester IUPAC Name: S-phenyl 3-[[(2R)-4-dimethoxyphosphoryloxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanethioate Traditional Name: 3-[[(2R)-4-dimethoxyphosphoryloxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanethioic acid S-phenyl ester Formula: C17H26NO7PS MolecularWeight: 419.429601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COP(=O)(OC)OC)C(C(=O)NCCC(=O)SC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(COP(=O)(OC)OC)[C@H](C(=O)NCCC(=O)SC1=CC=CC=C1)O

InChI

InChI=1S/C17H26NO7PS/c1-17(2,12-25-26(22,23-3)24-4)15(20)16(21)18-11-10-14(19)27-13-8-6-5-7-9-13/h5-9,15,20H,10-12H2,1-4H3,(H,18,21)/t15-/m0/s1