2-[[3-(carboxymethylcarbamoyl)phenyl]methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[[3-(carboxymethylcarbamoyl)phenyl]methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[[3-(carboxymethylcarbamoyl)phenyl]methyl]-5-sulfanyl-pentanoic acid CAS Name: 2-[[3-[(carboxymethylamino)-oxomethyl]phenyl]methyl]-5-mercaptopentanoic acid IUPAC Name: 2-[[3-(carboxymethylcarbamoyl)phenyl]methyl]-5-sulfanylpentanoic acid Traditional Name: 2-[3-(carboxymethylcarbamoyl)benzyl]-5-mercapto-valeric acid Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CCCS)C(=O)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CCCS)C(=O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C15H19NO5S/c17-13(18)9-16-14(19)11-4-1-3-10(7-11)8-12(15(20)21)5-2-6-22/h1,3-4,7,12,22H,2,5-6,8-9H2,(H,16,19)(H,17,18)(H,20,21)