4-azanyl-2-[2-(cyanomethylsulfanyl)ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(cyanomethylsulfanyl)ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-(cyanomethylthio)acetyl]amino]-4-keto-butyric acid Formula: C8H11N3O4S MolecularWeight: 245.25564

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Descriptors Computed from Structure

Canonical SMILES:

C(C#N)SCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C(C#N)SCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C8H11N3O4S/c9-1-2-16-4-7(13)11-5(8(14)15)3-6(10)12/h5H,2-4H2,(H2,10,12)(H,11,13)(H,14,15)