2-azanyl-3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]propionic acid Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C13H22N2O3S/c14-11(13(17)18)8-19-9-12(16)15-7-6-10-4-2-1-3-5-10/h4,11H,1-3,5-9,14H2,(H,15,16)(H,17,18)