3-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(1,4-dimethylpentylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(1,4-dimethylpentylamino)-2-keto-ethyl]thio]propionic acid Formula: C12H23NO3S MolecularWeight: 261.38092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSCCC(=O)O

Isomeric SMILES

CC(C)CCC(C)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C12H23NO3S/c1-9(2)4-5-10(3)13-11(14)8-17-7-6-12(15)16/h9-10H,4-8H2,1-3H3,(H,13,14)(H,15,16)