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

Systemtic Name: S-[2-[3-[(3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl)amino]propanoylamino]ethyl] butanethioate Openeye Name: S-[2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl)amino]propanoylamino]ethyl] butanethioate CAS Name: butanethioic 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] butanethioate Traditional Name: butanethioic acid S-[2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl)amino]propanoylamino]ethyl] ester Formula: C15H29N2O8PS MolecularWeight: 428.438121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)