5-bromanyl-2-[[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]benzoic acid Openeye Name: 5-bromo-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-cyclohexyl-propyl]amino]benzoic acid CAS Name: 5-bromo-2-[[(2R)-3-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-cyclohexyl-propyl]amino]benzoic acid Formula: C21H31BrN2O4 MolecularWeight: 455.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)CNC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)CNC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C21H31BrN2O4/c1-21(2,3)28-20(27)24-16(11-14-7-5-4-6-8-14)13-23-18-10-9-15(22)12-17(18)19(25)26/h9-10,12,14,16,23H,4-8,11,13H2,1-3H3,(H,24,27)(H,25,26)/t16-/m1/s1