(3R)-4-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1-tert-butyl-3-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-1,4-diazepan-2-one

Systemtic Name: (3R)-4-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1-tert-butyl-3-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-1,4-diazepan-2-one Openeye Name: (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-tert-butyl-3-[(1-oxidopyridin-1-ium-3-yl)methyl]-1,4-diazepan-2-one CAS Name: (3R)-4-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-1-tert-butyl-3-[(1-oxido-3-pyridin-1-iumyl)methyl]-1,4-diazepan-2-one IUPAC Name: (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-tert-butyl-3-[(1-oxidopyridin-1-ium-3-yl)methyl]-1,4-diazepan-2-one Traditional Name: (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-tert-butyl-3-[(1-oxidopyridin-1-ium-3-yl)methyl]-1,4-diazepan-2-one Formula: C25H31F3N4O3 MolecularWeight: 492.53385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCCN(C(C1=O)CC2=C[N+](=CC=C2)[O-])C(=O)CC(CC3=CC(=C(C=C3F)F)F)N

Isomeric SMILES

CC(C)(C)N1CCCN([C@@H](C1=O)CC2=C[N+](=CC=C2)[O-])C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N

InChI

InChI=1S/C25H31F3N4O3/c1-25(2,3)32-9-5-8-31(22(24(32)34)10-16-6-4-7-30(35)15-16)23(33)13-18(29)11-17-12-20(27)21(28)14-19(17)26/h4,6-7,12,14-15,18,22H,5,8-11,13,29H2,1-3H3/t18-,22-/m1/s1