(2R)-2-acetamido-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-acetamido-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid Openeye Name: (2R)-2-acetamido-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid CAS Name: (2R)-2-acetamido-3-[[(3-phenylpropylamino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid Traditional Name: (2R)-2-acetamido-3-(3-phenylpropylthiocarbamoylthio)propionic acid Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=S)NCCCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC(=S)NCCCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H20N2O3S2/c1-11(18)17-13(14(19)20)10-22-15(21)16-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)/t13-/m0/s1