[(2R,3S)-3-azanyl-4-[3,5-bis(fluoranyl)phenyl]-1-[(3-ethynylphenyl)methylamino]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-[(3-ethynylphenyl)methylamino]butan-2-yl] 3-(dipropylcarbamoyl)-5-(1,3-oxazol-2-yl)benzoate Openeye Name: [(1R,2S)-2-amino-3-(3,5-difluorophenyl)-1-[[(3-ethynylphenyl)methylamino]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-[(3-ethynylphenyl)methylamino]butan-2-yl] ester IUPAC Name: [(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethynylphenyl)methylamino]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-[[(3-ethynylbenzyl)amino]methyl]propyl] ester Formula: C36H38F2N4O4 MolecularWeight: 628.708126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=NC=CO2)C(=O)OC(CNCC3=CC=CC(=C3)C#C)C(CC4=CC(=CC(=C4)F)F)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C2=NC=CO2)C(=O)O[C@H](CNCC3=CC=CC(=C3)C#C)[C@H](CC4=CC(=CC(=C4)F)F)N

InChI

InChI=1S/C36H38F2N4O4/c1-4-11-42(12-5-2)35(43)28-18-27(34-41-10-13-45-34)19-29(20-28)36(44)46-33(23-40-22-25-9-7-8-24(6-3)14-25)32(39)17-26-15-30(37)21-31(38)16-26/h3,7-10,13-16,18-21,32-33,40H,4-5,11-12,17,22-23,39H2,1-2H3/t32-,33+/m0/s1