2-[1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 2-[2-(isopentylamino)-1-methyl-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-[1-(3-methylbutylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[2-(isoamylamino)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C11H21NO3S MolecularWeight: 247.35434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)SC(C)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C(C)SC(C)C(=O)O

InChI

InChI=1S/C11H21NO3S/c1-7(2)5-6-12-10(13)8(3)16-9(4)11(14)15/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)