(2S)-3-methylsulfonylsulfanyl-2-[[4-(phenylcarbonyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-methylsulfonylsulfanyl-2-[[4-(phenylcarbonyl)phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[(4-benzoylbenzoyl)amino]-3-methylsulfonylsulfanyl-propanoic acid CAS Name: (2S)-2-[[(4-benzoylphenyl)-oxomethyl]amino]-3-(methylsulfonylthio)propanoic acid IUPAC Name: (2S)-2-[(4-benzoylbenzoyl)amino]-3-methylsulfonylsulfanylpropanoic acid Traditional Name: (2S)-2-[(4-benzoylbenzoyl)amino]-3-(mesylthio)propionic acid Formula: C18H17NO6S2 MolecularWeight: 407.46068

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCC(C(=O)O)NC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S2/c1-27(24,25)26-11-15(18(22)23)19-17(21)14-9-7-13(8-10-14)16(20)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,19,21)(H,22,23)/t15-/m1/s1