2-acetamido-3-(benzamidomethylsulfanyl)propanoic acid

Systemtic Name: 2-acetamido-3-(benzamidomethylsulfanyl)propanoic acid Openeye Name: 2-acetamido-3-(benzamidomethylsulfanyl)propanoic acid CAS Name: 2-acetamido-3-(benzamidomethylthio)propanoic acid IUPAC Name: 2-acetamido-3-(benzamidomethylsulfanyl)propanoic acid Traditional Name: 2-acetamido-3-(benzamidomethylthio)propionic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCNC(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)NC(CSCNC(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-9(16)15-11(13(18)19)7-20-8-14-12(17)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,17)(H,15,16)(H,18,19)