2-[[4-[(1-cyclohexylpropan-2-ylamino)-ethylsulfanyl-methyl]-5-methoxy-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(1-cyclohexylpropan-2-ylamino)-ethylsulfanyl-methyl]-5-methoxy-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[(2-cyclohexyl-1-methyl-ethyl)amino]-ethylsulfanyl-methyl]-5-methoxy-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-cyclohexylpropan-2-ylamino)-(ethylthio)methyl]-5-methoxy-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexylpropan-2-ylamino)-ethylsulfanylmethyl]-5-methoxy-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[(2-cyclohexyl-1-methyl-ethyl)amino]-(ethylthio)methyl]-5-methoxy-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H46N2O4S2 MolecularWeight: 586.84864

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=C(C=C(C(=C1)C2=CC=CC=C2C)C(=O)NC(CCSC)C(=O)O)OC)NC(C)CC3CCCCC3

Isomeric SMILES

CCSC(C1=C(C=C(C(=C1)C2=CC=CC=C2C)C(=O)NC(CCSC)C(=O)O)OC)NC(C)CC3CCCCC3

InChI

InChI=1S/C32H46N2O4S2/c1-6-40-31(33-22(3)18-23-13-8-7-9-14-23)27-19-25(24-15-11-10-12-21(24)2)26(20-29(27)38-4)30(35)34-28(32(36)37)16-17-39-5/h10-12,15,19-20,22-23,28,31,33H,6-9,13-14,16-18H2,1-5H3,(H,34,35)(H,36,37)