S-[2-(pentanoylamino)ethyl] 2-methyl-3-oxidanyl-hexanethioate

Systemtic Name: S-[2-(pentanoylamino)ethyl] 2-methyl-3-oxidanyl-hexanethioate Openeye Name: S-[2-(pentanoylamino)ethyl] 3-hydroxy-2-methyl-hexanethioate CAS Name: 3-hydroxy-2-methylhexanethioic acid S-[2-(1-oxopentylamino)ethyl] ester IUPAC Name: S-[2-(pentanoylamino)ethyl] 3-hydroxy-2-methylhexanethioate Traditional Name: 3-hydroxy-2-methyl-hexanethioic acid S-[2-(valerylamino)ethyl] ester Formula: C14H27NO3S MolecularWeight: 289.43408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCCSC(=O)C(C)C(CCC)O

Isomeric SMILES

CCCCC(=O)NCCSC(=O)C(C)C(CCC)O

InChI

InChI=1S/C14H27NO3S/c1-4-6-8-13(17)15-9-10-19-14(18)11(3)12(16)7-5-2/h11-12,16H,4-10H2,1-3H3,(H,15,17)