5-azanyl-2-[2-(cyanomethylsulfanyl)ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-(cyanomethylsulfanyl)ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-(cyanomethylthio)acetyl]amino]-5-keto-valeric acid Formula: C9H13N3O4S MolecularWeight: 259.28222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O4S/c10-3-4-17-5-8(14)12-6(9(15)16)1-2-7(11)13/h6H,1-2,4-5H2,(H2,11,13)(H,12,14)(H,15,16)