3-(4-iodophenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-iodophenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]carbonylamino]propanoic acid Openeye Name: 2-[[1-(tert-butoxycarbonylamino)cyclopentanecarbonyl]amino]-3-(4-iodophenyl)propanoic acid CAS Name: 3-(4-iodophenyl)-2-[[[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-iodophenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoic acid Traditional Name: 2-[[1-(tert-butoxycarbonylamino)cyclopentanecarbonyl]amino]-3-(4-iodophenyl)propionic acid Formula: C20H27IN2O5 MolecularWeight: 502.34325

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H27IN2O5/c1-19(2,3)28-18(27)23-20(10-4-5-11-20)17(26)22-15(16(24)25)12-13-6-8-14(21)9-7-13/h6-9,15H,4-5,10-12H2,1-3H3,(H,22,26)(H,23,27)(H,24,25)