2-azanyl-3-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl]thio]propionic acid Formula: C13H21N3O3S MolecularWeight: 299.38914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSCC(C(=O)O)N)C1(CCCCC1)C#N

Isomeric SMILES

CN(C(=O)CSCC(C(=O)O)N)C1(CCCCC1)C#N

InChI

InChI=1S/C13H21N3O3S/c1-16(13(9-14)5-3-2-4-6-13)11(17)8-20-7-10(15)12(18)19/h10H,2-8,15H2,1H3,(H,18,19)