(2S)-4-methylsulfanyl-2-[[4-[(1-oxidanyl-3-phenyl-propan-2-yl)sulfanylmethyl]-2-phenyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[4-[(1-oxidanyl-3-phenyl-propan-2-yl)sulfanylmethyl]-2-phenyl-phenyl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[4-[(1-benzyl-2-hydroxy-ethyl)sulfanylmethyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[4-[[(1-hydroxy-3-phenylpropan-2-yl)thio]methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[4-[(1-hydroxy-3-phenylpropan-2-yl)sulfanylmethyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[4-[[(1-benzyl-2-hydroxy-ethyl)thio]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H31NO4S2 MolecularWeight: 509.68004

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CSC(CC2=CC=CC=C2)CO)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)CSC(CC2=CC=CC=C2)CO)C3=CC=CC=C3

InChI

InChI=1S/C28H31NO4S2/c1-34-15-14-26(28(32)33)29-27(31)24-13-12-21(17-25(24)22-10-6-3-7-11-22)19-35-23(18-30)16-20-8-4-2-5-9-20/h2-13,17,23,26,30H,14-16,18-19H2,1H3,(H,29,31)(H,32,33)/t23?,26-/m0/s1