3-(4-chlorophenyl)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-(4-chlorophenyl)propanoic acid CAS Name: 3-(4-chlorophenyl)-2-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]cyclohexyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-(4-chlorophenyl)propionic acid Formula: C22H31ClN2O5 MolecularWeight: 438.94494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C22H31ClN2O5/c1-22(2,3)30-21(29)24-13-15-4-8-16(9-5-15)19(26)25-18(20(27)28)12-14-6-10-17(23)11-7-14/h6-7,10-11,15-16,18H,4-5,8-9,12-13H2,1-3H3,(H,24,29)(H,25,26)(H,27,28)