N-[(2R,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-iodanylphenyl)methylamino]-3-oxidanyl-butan-2-yl]-2-(methylsulfonylamino)-4-phenyl-butanamide

Systemtic Name: N-[(2R,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-iodanylphenyl)methylamino]-3-oxidanyl-butan-2-yl]-2-(methylsulfonylamino)-4-phenyl-butanamide Openeye Name: N-[(1R,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-iodophenyl)methylamino]propyl]-2-(methanesulfonamido)-4-phenyl-butanamide CAS Name: N-[(2R,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-2-(methanesulfonamido)-4-phenylbutanamide IUPAC Name: N-[(2R,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-2-(methanesulfonamido)-4-phenylbutanamide Traditional Name: N-[(1R,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl]-2-(methanesulfonamido)-4-phenyl-butyramide Formula: C28H32F2IN3O4S MolecularWeight: 671.537656

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CCC1=CC=CC=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CNCC3=CC(=CC=C3)I)O

Isomeric SMILES

CS(=O)(=O)NC(CCC1=CC=CC=C1)C(=O)N[C@H](CC2=CC(=CC(=C2)F)F)[C@@H](CNCC3=CC(=CC=C3)I)O

InChI

InChI=1S/C28H32F2IN3O4S/c1-39(37,38)34-25(11-10-19-6-3-2-4-7-19)28(36)33-26(15-21-12-22(29)16-23(30)13-21)27(35)18-32-17-20-8-5-9-24(31)14-20/h2-9,12-14,16,25-27,32,34-35H,10-11,15,17-18H2,1H3,(H,33,36)/t25?,26-,27-/m1/s1