methyl (2S)-2-[[2-(2-methylphenyl)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-(2-methylphenyl)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(2-methylphenyl)-4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-methylphenyl)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CNC(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C26H34N2O5S/c1-17-9-7-8-10-19(17)21-15-18(16-27-25(31)33-26(2,3)4)11-12-20(21)23(29)28-22(13-14-34-6)24(30)32-5/h7-12,15,22H,13-14,16H2,1-6H3,(H,27,31)(H,28,29)/t22-/m0/s1