5-azanyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-(o-tolylsulfanyl)acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[2-(o-tolylthio)acetyl]amino]valeric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-9-4-2-3-5-11(9)21-8-13(18)16-10(14(19)20)6-7-12(15)17/h2-5,10H,6-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)