[(2R,3S)-3-azanyl-4-[3,5-bis(fluoranyl)phenyl]-1-[[1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]cyclopropyl]amino]butan-2-yl] 3-(dipropylcarbamoyl)-5-(1,3-oxazol-2-yl)benzoate

Systemtic Name: [(2R,3S)-3-azanyl-4-[3,5-bis(fluoranyl)phenyl]-1-[[1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]cyclopropyl]amino]butan-2-yl] 3-(dipropylcarbamoyl)-5-(1,3-oxazol-2-yl)benzoate Openeye Name: [(1R,2S)-2-amino-3-(3,5-difluorophenyl)-1-[[[1-(3-isobutylisoxazol-5-yl)cyclopropyl]amino]methyl]propyl] 3-(dipropylcarbamoyl)-5-oxazol-2-yl-benzoate CAS Name: 3-[(dipropylamino)-oxomethyl]-5-(2-oxazolyl)benzoic acid [(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[1-[3-(2-methylpropyl)-5-isoxazolyl]cyclopropyl]amino]butan-2-yl] ester IUPAC Name: [(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]cyclopropyl]amino]butan-2-yl] 3-(dipropylcarbamoyl)-5-(1,3-oxazol-2-yl)benzoate Traditional Name: 3-(dipropylcarbamoyl)-5-oxazol-2-yl-benzoic acid [(1R,2S)-2-amino-3-(3,5-difluorophenyl)-1-[[[1-(3-isobutylisoxazol-5-yl)cyclopropyl]amino]methyl]propyl] ester Formula: C37H45F2N5O5 MolecularWeight: 677.780506

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=NC=CO2)C(=O)OC(CNC3(CC3)C4=CC(=NO4)CC(C)C)C(CC5=CC(=CC(=C5)F)F)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=NC=CO2)C(=O)O[C@H](CNC3(CC3)C4=CC(=NO4)CC(C)C)[C@H](CC5=CC(=CC(=C5)F)F)N

InChI

InChI=1S/C37H45F2N5O5/c1-5-10-44(11-6-2)35(45)26-17-25(34-41-9-12-47-34)18-27(19-26)36(46)48-32(31(40)16-24-14-28(38)20-29(39)15-24)22-42-37(7-8-37)33-21-30(43-49-33)13-23(3)4/h9,12,14-15,17-21,23,31-32,42H,5-8,10-11,13,16,22,40H2,1-4H3/t31-,32+/m0/s1