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

Systemtic Name: 5-azanyl-2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[4-(methylsulfanylmethyl)benzoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-(methylsulfanylmethyl)benzoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[4-[(methylthio)methyl]benzoyl]amino]valeric acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NC(CCC(=O)N)C(=O)O

InChI

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