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

Systemtic Name: 2-azanyl-3-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C12H19N3O3S/c13-8-12(4-2-1-3-5-12)15-10(16)7-19-6-9(14)11(17)18/h9H,1-7,14H2,(H,15,16)(H,17,18)