3-[[5-[(4-tert-butylcyclohexyl)-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]furan-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[5-[(4-tert-butylcyclohexyl)-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]furan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[5-[(4-tert-butylcyclohexyl)-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]furan-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[5-[(4-tert-butylcyclohexyl)-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]methyl]-2-furanyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-[(4-tert-butylcyclohexyl)-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]furan-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[5-[(4-tert-butylcyclohexyl)-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]-2-furoyl]amino]propionic acid Formula: C27H33ClF3N3O5 MolecularWeight: 572.01623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(C2=CC=C(O2)C(=O)NCCC(=O)O)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(C2=CC=C(O2)C(=O)NCCC(=O)O)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C27H33ClF3N3O5/c1-26(2,3)16-6-4-15(5-7-16)23(20-10-11-21(39-20)24(37)32-13-12-22(35)36)34-25(38)33-17-8-9-19(28)18(14-17)27(29,30)31/h8-11,14-16,23H,4-7,12-13H2,1-3H3,(H,32,37)(H,35,36)(H2,33,34,38)