(2S)-2-acetamido-3-(phenethylcarbamothioylsulfanyl)propanoic acid

Systemtic Name: (2S)-2-acetamido-3-(phenethylcarbamothioylsulfanyl)propanoic acid Openeye Name: (2S)-2-acetamido-3-(phenethylcarbamothioylsulfanyl)propanoic acid CAS Name: (2S)-2-acetamido-3-[[(phenethylamino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: (2S)-2-acetamido-3-(phenethylcarbamothioylsulfanyl)propanoic acid Traditional Name: (2S)-2-acetamido-3-(phenethylthiocarbamoylthio)propionic acid Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=S)NCCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)N[C@H](CSC(=S)NCCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H18N2O3S2/c1-10(17)16-12(13(18)19)9-21-14(20)15-8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,20)(H,16,17)(H,18,19)/t12-/m1/s1