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

Systemtic Name: methyl 2-[[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-(tert-butoxycarbonylamino)-3-methoxy-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(tert-butoxycarbonylamino)-3-methoxy-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)OC)OC

InChI

InChI=1S/C19H28N2O6S/c1-19(2,3)27-18(24)21-13-8-7-12(11-15(13)25-4)16(22)20-14(9-10-28-6)17(23)26-5/h7-8,11,14H,9-10H2,1-6H3,(H,20,22)(H,21,24)