ethyl 3-(4-methoxyphenyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]propanoate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]propanoate Openeye Name: ethyl 3-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoate Traditional Name: 3-[[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O6S/c1-7-29-19(25)14-18(15-8-10-16(28-5)11-9-15)23-20(26)17(12-13-31-6)24-21(27)30-22(2,3)4/h8-11,17-18H,7,12-14H2,1-6H3,(H,23,26)(H,24,27)