S-[2-[3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] but-2-ynethioate

Systemtic Name: S-[2-[3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] but-2-ynethioate Openeye Name: S-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyl] but-2-ynethioate CAS Name: 2-butynethioic acid S-[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl] ester IUPAC Name: S-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyl] but-2-ynethioate Traditional Name: but-2-ynethioic acid S-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethyl] ester Formula: C15H24N2O5S MolecularWeight: 344.42646

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)O

Isomeric SMILES

CC#CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)O

InChI

InChI=1S/C15H24N2O5S/c1-4-5-12(20)23-9-8-16-11(19)6-7-17-14(22)13(21)15(2,3)10-18/h13,18,21H,6-10H2,1-3H3,(H,16,19)(H,17,22)