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

Systemtic Name: (2S)-2-[[4-[[[(2S)-1-cyclohexyl-3-oxidanyl-propan-2-yl]amino]methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[4-[[[(1S)-1-(cyclohexylmethyl)-2-hydroxy-ethyl]amino]methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[4-[[[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[4-[[[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]amino]methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[4-[[[(1S)-1-(cyclohexylmethyl)-2-hydroxy-ethyl]amino]methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H38N2O4S MolecularWeight: 498.67732

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNC(CC2CCCCC2)CO)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)CN[C@@H](CC2CCCCC2)CO)C3=CC=CC=C3

InChI

InChI=1S/C28H38N2O4S/c1-35-15-14-26(28(33)34)30-27(32)24-13-12-21(17-25(24)22-10-6-3-7-11-22)18-29-23(19-31)16-20-8-4-2-5-9-20/h3,6-7,10-13,17,20,23,26,29,31H,2,4-5,8-9,14-16,18-19H2,1H3,(H,30,32)(H,33,34)/t23-,26-/m0/s1