2-[8-(2-azanylethyl)-2-oxidanylidene-3-(sulfanylmethyl)azocan-1-yl]ethanoic acid

Systemtic Name: 2-[8-(2-azanylethyl)-2-oxidanylidene-3-(sulfanylmethyl)azocan-1-yl]ethanoic acid Openeye Name: 2-[8-(2-aminoethyl)-2-oxo-3-(sulfanylmethyl)azocan-1-yl]acetic acid CAS Name: 2-[8-(2-aminoethyl)-3-(mercaptomethyl)-2-oxo-1-azocanyl]acetic acid IUPAC Name: 2-[8-(2-aminoethyl)-2-oxo-3-(sulfanylmethyl)azocan-1-yl]acetic acid Traditional Name: 2-[8-(2-aminoethyl)-2-keto-3-(mercaptomethyl)azocan-1-yl]acetic acid Formula: C12H22N2O3S MolecularWeight: 274.37968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)N(C(C1)CCN)CC(=O)O)CS

Isomeric SMILES

C1CCC(C(=O)N(C(C1)CCN)CC(=O)O)CS

InChI

InChI=1S/C12H22N2O3S/c13-6-5-10-4-2-1-3-9(8-18)12(17)14(10)7-11(15)16/h9-10,18H,1-8,13H2,(H,15,16)