3-[[(4R,5S,6S,7R)-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-3-[[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-[2,2,2-tris(fluoranyl)ethyl]benzamide

Systemtic Name: 3-[[(4R,5S,6S,7R)-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-3-[[3-[2,2,2-tris(fluoranyl)ethylcarbamoyl]phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-[2,2,2-tris(fluoranyl)ethyl]benzamide Openeye Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide CAS Name: 3-[[(4R,5S,6S,7R)-5,6-dihydroxy-2-oxo-3-[[3-[oxo-(2,2,2-trifluoroethylamino)methyl]phenyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-1-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide IUPAC Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide Traditional Name: 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-keto-3-[3-(2,2,2-trifluoroethylcarbamoyl)benzyl]-1,3-diazepan-1-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide Formula: C39H38F6N4O5 MolecularWeight: 756.733239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CC3=CC=CC(=C3)C(=O)NCC(F)(F)F)CC4=CC=CC(=C4)C(=O)NCC(F)(F)F)CC5=CC=CC=C5)O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=CC(=C3)C(=O)NCC(F)(F)F)CC4=CC=CC(=C4)C(=O)NCC(F)(F)F)CC5=CC=CC=C5)O)O

InChI

InChI=1S/C39H38F6N4O5/c40-38(41,42)23-46-35(52)29-15-7-13-27(17-29)21-48-31(19-25-9-3-1-4-10-25)33(50)34(51)32(20-26-11-5-2-6-12-26)49(37(48)54)22-28-14-8-16-30(18-28)36(53)47-24-39(43,44)45/h1-18,31-34,50-51H,19-24H2,(H,46,52)(H,47,53)/t31-,32-,33+,34+/m1/s1