2-[[4-[[(3-cyclohexyl-1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl)-methyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[(3-cyclohexyl-1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl)-methyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-oxo-2-thiomorpholino-ethyl]-methyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[(3-cyclohexyl-1-oxo-1-thiomorpholin-4-ylpropan-2-yl)-methylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[(3-cyclohexyl-1-oxo-1-thiomorpholin-4-ylpropan-2-yl)-methylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-keto-2-thiomorpholino-ethyl]-methyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C34H47N3O4S2 MolecularWeight: 625.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)C(CC3CCCCC3)C(=O)N4CCSCC4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)C(CC3CCCCC3)C(=O)N4CCSCC4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C34H47N3O4S2/c1-24-9-7-8-12-27(24)29-21-26(13-14-28(29)32(38)35-30(34(40)41)15-18-42-3)23-36(2)31(22-25-10-5-4-6-11-25)33(39)37-16-19-43-20-17-37/h7-9,12-14,21,25,30-31H,4-6,10-11,15-20,22-23H2,1-3H3,(H,35,38)(H,40,41)