S-[2-[3-[(3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl)amino]propanoylamino]ethyl] methanethioate

Systemtic Name: S-[2-[3-[(3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl)amino]propanoylamino]ethyl] methanethioate Openeye Name: S-[2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl)amino]propanoylamino]ethyl] methanethioate CAS Name: methanethioic acid S-[2-[[3-[(2-hydroxy-3,3-dimethyl-1-oxo-4-phosphonooxybutyl)amino]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoylamino]ethyl] methanethioate Traditional Name: methanethioic acid S-[2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl)amino]propanoylamino]ethyl] ester Formula: C12H23N2O8PS MolecularWeight: 386.358381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC=O)O

Isomeric SMILES

CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC=O)O

InChI

InChI=1S/C12H23N2O8PS/c1-12(2,7-22-23(19,20)21)10(17)11(18)14-4-3-9(16)13-5-6-24-8-15/h8,10,17H,3-7H2,1-2H3,(H,13,16)(H,14,18)(H2,19,20,21)