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

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl 2-[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)amino]-3-oxidanyl-propanoate Openeye Name: [4-(trifluoromethyl)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 [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)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 [4-(trifluoromethyl)benzyl] ester Formula: C21H29F3N2O5 MolecularWeight: 446.46057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29F3N2O5/c22-21(23,24)15-8-6-14(7-9-15)12-31-20(30)17(11-27)26-19(29)18(28)16(25)10-13-4-2-1-3-5-13/h6-9,13,16-18,27-28H,1-5,10-12,25H2,(H,26,29)