4-azanyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]butyric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC(CC(=O)N)C(=O)O

InChI

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