(2S)-N-[(3S)-3-azanyl-4-fluoranyl-butyl]-N-[1-[5-[2,5-bis(fluoranyl)phenyl]-2-[(3-cyanophenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethyl-propyl]-2-oxidanyl-propanamide

Systemtic Name: (2S)-N-[(3S)-3-azanyl-4-fluoranyl-butyl]-N-[1-[5-[2,5-bis(fluoranyl)phenyl]-2-[(3-cyanophenyl)methyl]-1,2,4-triazol-3-yl]-2,2-dimethyl-propyl]-2-oxidanyl-propanamide Openeye Name: (2S)-N-[(3S)-3-amino-4-fluoro-butyl]-N-[1-[2-[(3-cyanophenyl)methyl]-5-(2,5-difluorophenyl)-1,2,4-triazol-3-yl]-2,2-dimethyl-propyl]-2-hydroxy-propanamide CAS Name: (2S)-N-[(3S)-3-amino-4-fluorobutyl]-N-[1-[2-[(3-cyanophenyl)methyl]-5-(2,5-difluorophenyl)-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxypropanamide IUPAC Name: (2S)-N-[(3S)-3-amino-4-fluorobutyl]-N-[1-[2-[(3-cyanophenyl)methyl]-5-(2,5-difluorophenyl)-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-2-hydroxypropanamide Traditional Name: (2S)-N-[(3S)-3-amino-4-fluoro-butyl]-N-[1-[2-(3-cyanobenzyl)-5-(2,5-difluorophenyl)-1,2,4-triazol-3-yl]-2,2-dimethyl-propyl]-2-hydroxy-propionamide Formula: C28H33F3N6O2 MolecularWeight: 542.59583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC(CF)N)C(C1=NC(=NN1CC2=CC=CC(=C2)C#N)C3=C(C=CC(=C3)F)F)C(C)(C)C)O

Isomeric SMILES

C[C@@H](C(=O)N(CC[C@@H](CF)N)C(C1=NC(=NN1CC2=CC=CC(=C2)C#N)C3=C(C=CC(=C3)F)F)C(C)(C)C)O

InChI

InChI=1S/C28H33F3N6O2/c1-17(38)27(39)36(11-10-21(33)14-29)24(28(2,3)4)26-34-25(22-13-20(30)8-9-23(22)31)35-37(26)16-19-7-5-6-18(12-19)15-32/h5-9,12-13,17,21,24,38H,10-11,14,16,33H2,1-4H3/t17-,21-,24?/m0/s1