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

Systemtic Name: 2-[(3-aminocarbonylphenyl)methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(3-carbamoylphenyl)methyl]-5-sulfanyl-pentanoic acid CAS Name: 2-[(3-carbamoylphenyl)methyl]-5-mercaptopentanoic acid IUPAC Name: 2-[(3-carbamoylphenyl)methyl]-5-sulfanylpentanoic acid Traditional Name: 2-(3-carbamoylbenzyl)-5-mercapto-valeric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H2,14,15)(H,16,17)