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

Systemtic Name: 2-[[3-[(phenylmethyl)carbamoyl]phenyl]methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[[3-(benzylcarbamoyl)phenyl]methyl]-5-sulfanyl-pentanoic acid CAS Name: 5-mercapto-2-[[3-[oxo-[(phenylmethyl)amino]methyl]phenyl]methyl]pentanoic acid IUPAC Name: 2-[[3-(benzylcarbamoyl)phenyl]methyl]-5-sulfanylpentanoic acid Traditional Name: 2-[3-(benzylcarbamoyl)benzyl]-5-mercapto-valeric acid Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)CC(CCCS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)CC(CCCS)C(=O)O

InChI

InChI=1S/C20H23NO3S/c22-19(21-14-15-6-2-1-3-7-15)17-9-4-8-16(12-17)13-18(20(23)24)10-5-11-25/h1-4,6-9,12,18,25H,5,10-11,13-14H2,(H,21,22)(H,23,24)