methyl 3-(4-iodophenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]carbonylamino]propanoate

Systemtic Name: methyl 3-(4-iodophenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]carbonylamino]propanoate Openeye Name: methyl 2-[[1-(tert-butoxycarbonylamino)cyclopentanecarbonyl]amino]-3-(4-iodophenyl)propanoate CAS Name: 3-(4-iodophenyl)-2-[[[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-iodophenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate Traditional Name: 2-[[1-(tert-butoxycarbonylamino)cyclopentanecarbonyl]amino]-3-(4-iodophenyl)propionic acid methyl ester Formula: C21H29IN2O5 MolecularWeight: 516.36983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)I)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)I)C(=O)OC

InChI

InChI=1S/C21H29IN2O5/c1-20(2,3)29-19(27)24-21(11-5-6-12-21)18(26)23-16(17(25)28-4)13-14-7-9-15(22)10-8-14/h7-10,16H,5-6,11-13H2,1-4H3,(H,23,26)(H,24,27)