methyl 2-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(tert-butoxycarbonylamino)-3-methyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(tert-butoxycarbonylamino)-3-methyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CCSC)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CCSC)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H28N2O5S/c1-12-11-13(7-8-14(12)21-18(24)26-19(2,3)4)16(22)20-15(9-10-27-6)17(23)25-5/h7-8,11,15H,9-10H2,1-6H3,(H,20,22)(H,21,24)