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

Systemtic Name: S-[2-[3-[[3,3-dimethyl-2-oxidanyl-4-[oxidanyl(phosphonooxy)phosphoryl]oxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylidenebutanethioate Openeye Name: S-[2-[3-[[2-hydroxy-4-[hydroxy(phosphonooxy)phosphoryl]oxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate CAS Name: 3-oxobutanethioic acid S-[2-[[3-[[2-hydroxy-4-[hydroxy(phosphonooxy)phosphoryl]oxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[3-[[2-hydroxy-4-[hydroxy(phosphonooxy)phosphoryl]oxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate Traditional Name: 3-ketobutanethioic acid S-[2-[3-[[2-hydroxy-4-[hydroxy(phosphonooxy)phosphoryl]oxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] ester Formula: C15H28N2O12P2S MolecularWeight: 522.401542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C15H28N2O12P2S/c1-10(18)8-12(20)32-7-6-16-11(19)4-5-17-14(22)13(21)15(2,3)9-28-31(26,27)29-30(23,24)25/h13,21H,4-9H2,1-3H3,(H,16,19)(H,17,22)(H,26,27)(H2,23,24,25)