(2S)-4-methylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]butanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C22H25NO4S2 MolecularWeight: 431.5682

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S2/c1-28-13-12-19(21(25)26)23-20(24)18(14-16-8-4-2-5-9-16)15-29-22(27)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,23,24)(H,25,26)/t18-,19+/m1/s1