2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]acetic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C13H15NO4S/c1-9(15)19-11(13(18)14-8-12(16)17)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,18)(H,16,17)/t11-/m0/s1