3-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(1,5-dimethylhexylamino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(6-methylheptan-2-ylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(1,5-dimethylhexylamino)-2-keto-ethyl]thio]propionic acid Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO3S/c1-10(2)5-4-6-11(3)14-12(15)9-18-8-7-13(16)17/h10-11H,4-9H2,1-3H3,(H,14,15)(H,16,17)