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

Systemtic Name: 3-[[5-[(4-tert-butylcyclohexyl)-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]furan-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[5-[(4-tert-butylcyclohexyl)-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]furan-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[5-[(4-tert-butylcyclohexyl)-[[oxo-[3-(trifluoromethylthio)anilino]methyl]amino]methyl]-2-furanyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-[(4-tert-butylcyclohexyl)-[[3-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]furan-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[5-[(4-tert-butylcyclohexyl)-[[3-(trifluoromethylthio)phenyl]carbamoylamino]methyl]-2-furoyl]amino]propionic acid Formula: C27H34F3N3O5S MolecularWeight: 569.63617

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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(=CC=C3)SC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C27H34F3N3O5S/c1-26(2,3)17-9-7-16(8-10-17)23(20-11-12-21(38-20)24(36)31-14-13-22(34)35)33-25(37)32-18-5-4-6-19(15-18)39-27(28,29)30/h4-6,11-12,15-17,23H,7-10,13-14H2,1-3H3,(H,31,36)(H,34,35)(H2,32,33,37)