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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C12H22N2O3S/c13-10(12(16)17)8-18-9-11(15)14-6-4-2-1-3-5-7-14/h10H,1-9,13H2,(H,16,17)