(2S)-2-[[2-benzamido-2-(phenylcarbonylsulfanyl)ethanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[2-benzamido-2-(phenylcarbonylsulfanyl)ethanoyl]amino]propanoic acid Openeye Name: (2S)-2-[(2-benzamido-2-benzoylsulfanyl-acetyl)amino]propanoic acid CAS Name: (2S)-2-[[2-benzamido-2-(benzoylthio)-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(2-benzamido-2-benzoylsulfanylacetyl)amino]propanoic acid Traditional Name: (2S)-2-[[2-benzamido-2-(benzoylthio)acetyl]amino]propionic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(NC(=O)C1=CC=CC=C1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C(NC(=O)C1=CC=CC=C1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18N2O5S/c1-12(18(24)25)20-16(23)17(21-15(22)13-8-4-2-5-9-13)27-19(26)14-10-6-3-7-11-14/h2-12,17H,1H3,(H,20,23)(H,21,22)(H,24,25)/t12-,17?/m0/s1