(2S)-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]butanoic acid

Systemtic Name: (2S)-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]butanoic acid Openeye Name: (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenyl-butanoyl]amino]butanoic acid CAS Name: (2S)-2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylbutyl]amino]butanoic acid IUPAC Name: (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenylbutanoyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-[(benzoylthio)methyl]-3-phenyl-butanoyl]amino]butyric acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C(CSC(=O)C1=CC=CC=C1)C(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-3-19(21(25)26)23-20(24)18(15(2)16-10-6-4-7-11-16)14-28-22(27)17-12-8-5-9-13-17/h4-13,15,18-19H,3,14H2,1-2H3,(H,23,24)(H,25,26)/t15?,18?,19-/m0/s1