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

Systemtic Name: (2S)-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenyl-butanoyl]amino]pentanoic acid CAS Name: (2S)-2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylbutyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[2-(benzoylsulfanylmethyl)-3-phenylbutanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[2-[(benzoylthio)methyl]-3-phenyl-butanoyl]amino]valeric acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4S/c1-3-10-20(22(26)27)24-21(25)19(16(2)17-11-6-4-7-12-17)15-29-23(28)18-13-8-5-9-14-18/h4-9,11-14,16,19-20H,3,10,15H2,1-2H3,(H,24,25)(H,26,27)/t16?,19?,20-/m0/s1