[3-(trifluoromethyloxy)phenyl]methyl 2-[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)amino]-3-oxidanyl-propanoate

Systemtic Name: [3-(trifluoromethyloxy)phenyl]methyl 2-[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)amino]-3-oxidanyl-propanoate Openeye Name: [3-(trifluoromethoxy)phenyl]methyl 2-[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)amino]-3-hydroxy-propanoate CAS Name: 2-[(3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl)amino]-3-hydroxypropanoic acid [3-(trifluoromethoxy)phenyl]methyl ester IUPAC Name: [3-(trifluoromethoxy)phenyl]methyl 2-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]-3-hydroxypropanoate Traditional Name: 2-[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)amino]-3-hydroxy-propionic acid [3-(trifluoromethoxy)benzyl] ester Formula: C21H29F3N2O6 MolecularWeight: 462.45997

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(C(=O)NC(CO)C(=O)OCC2=CC(=CC=C2)OC(F)(F)F)O)N

Isomeric SMILES

C1CCC(CC1)CC(C(C(=O)NC(CO)C(=O)OCC2=CC(=CC=C2)OC(F)(F)F)O)N

InChI

InChI=1S/C21H29F3N2O6/c22-21(23,24)32-15-8-4-7-14(9-15)12-31-20(30)17(11-27)26-19(29)18(28)16(25)10-13-5-2-1-3-6-13/h4,7-9,13,16-18,27-28H,1-3,5-6,10-12,25H2,(H,26,29)