(2S)-4-methylsulfanyl-2-[[4-(phenoxymethyl)-2-phenyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[4-(phenoxymethyl)-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[4-(phenoxymethyl)-2-phenyl-benzoyl]amino]butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-(phenoxymethyl)-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[4-(phenoxymethyl)-2-phenylbenzoyl]amino]butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[4-(phenoxymethyl)-2-phenyl-benzoyl]amino]butyric acid Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)COC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO4S/c1-31-15-14-23(25(28)29)26-24(27)21-13-12-18(17-30-20-10-6-3-7-11-20)16-22(21)19-8-4-2-5-9-19/h2-13,16,23H,14-15,17H2,1H3,(H,26,27)(H,28,29)/t23-/m0/s1