3-[[5-[[(4-tert-butylcyclohexyl)-[[4-(trifluoromethyloxy)phenyl]carbamoyl]amino]methyl]pyridin-2-yl]carbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[[5-[[(4-tert-butylcyclohexyl)-[[4-(trifluoromethyloxy)phenyl]carbamoyl]amino]methyl]pyridin-2-yl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[5-[[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyridine-2-carbonyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[5-[[(4-tert-butylcyclohexyl)-[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]methyl]-2-pyridinyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[5-[[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyridine-2-carbonyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[5-[[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]picolinoyl]amino]-2-hydroxy-propionic acid Formula: C28H35F3N4O6 MolecularWeight: 580.59591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CN=C(C=C2)C(=O)NCC(C(=O)O)O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CN=C(C=C2)C(=O)NCC(C(=O)O)O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C28H35F3N4O6/c1-27(2,3)18-5-9-20(10-6-18)35(26(40)34-19-7-11-21(12-8-19)41-28(29,30)31)16-17-4-13-22(32-14-17)24(37)33-15-23(36)25(38)39/h4,7-8,11-14,18,20,23,36H,5-6,9-10,15-16H2,1-3H3,(H,33,37)(H,34,40)(H,38,39)