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

Systemtic Name: S-phenyl 3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanethioate Openeye Name: S-phenyl 3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanethioate CAS Name: 3-[[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-phosphonooxybutyl]amino]propanethioic acid S-phenyl ester IUPAC Name: S-phenyl 3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanethioate Traditional Name: 3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanethioic acid S-phenyl ester Formula: C15H22NO7PS MolecularWeight: 391.376441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22NO7PS/c1-15(2,10-23-24(20,21)22)13(18)14(19)16-9-8-12(17)25-11-6-4-3-5-7-11/h3-7,13,18H,8-10H2,1-2H3,(H,16,19)(H2,20,21,22)/t13-/m0/s1