2-azanyl-3-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(cyclohexylamino)-2-keto-1-methyl-ethyl]thio]propionic acid Formula: C12H22N2O3S MolecularWeight: 274.37968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SCC(C(=O)O)N

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SCC(C(=O)O)N

InChI

InChI=1S/C12H22N2O3S/c1-8(18-7-10(13)12(16)17)11(15)14-9-5-3-2-4-6-9/h8-10H,2-7,13H2,1H3,(H,14,15)(H,16,17)