5-azanyl-2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[2-methyl-5-(methylthio)benzoyl]amino]valeric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-8-3-4-9(21-2)7-10(8)13(18)16-11(14(19)20)5-6-12(15)17/h3-4,7,11H,5-6H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)