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

Systemtic Name: S-[2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] heptanethioate Openeye Name: S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] heptanethioate CAS Name: heptanethioic acid S-[2-[[3-[[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-phosphonooxybutyl]amino]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] heptanethioate Traditional Name: heptanethioic acid S-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ester Formula: C18H35N2O8PS MolecularWeight: 470.517861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O

Isomeric SMILES

CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O

InChI

InChI=1S/C18H35N2O8PS/c1-4-5-6-7-8-15(22)30-12-11-19-14(21)9-10-20-17(24)16(23)18(2,3)13-28-29(25,26)27/h16,23H,4-13H2,1-3H3,(H,19,21)(H,20,24)(H2,25,26,27)/t16-/m0/s1