5-azanyl-2-[(4-methylsulfanylphenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(4-methylsulfanylphenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-methylsulfanylbenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[4-(methylthio)phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(4-methylsulfanylbenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[4-(methylthio)benzoyl]amino]valeric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-20-9-4-2-8(3-5-9)12(17)15-10(13(18)19)6-7-11(14)16/h2-5,10H,6-7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)