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

Systemtic Name: [(2R,3S)-3-azanyl-4-[3,5-bis(fluoranyl)phenyl]-1-[[1-(3-iodanylphenyl)cyclopropyl]amino]butan-2-yl] 3-(dipropylcarbamoyl)-5-methyl-benzoate Openeye Name: [(1R,2S)-2-amino-3-(3,5-difluorophenyl)-1-[[[1-(3-iodophenyl)cyclopropyl]amino]methyl]propyl] 3-(dipropylcarbamoyl)-5-methyl-benzoate CAS Name: 3-[(dipropylamino)-oxomethyl]-5-methylbenzoic acid [(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[1-(3-iodophenyl)cyclopropyl]amino]butan-2-yl] ester IUPAC Name: [(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[1-(3-iodophenyl)cyclopropyl]amino]butan-2-yl] 3-(dipropylcarbamoyl)-5-methylbenzoate Traditional Name: 3-(dipropylcarbamoyl)-5-methyl-benzoic acid [(1R,2S)-2-amino-3-(3,5-difluorophenyl)-1-[[[1-(3-iodophenyl)cyclopropyl]amino]methyl]propyl] ester Formula: C34H40F2IN3O3 MolecularWeight: 703.600976

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C)C(=O)OC(CNC2(CC2)C3=CC(=CC=C3)I)C(CC4=CC(=CC(=C4)F)F)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C)C(=O)O[C@H](CNC2(CC2)C3=CC(=CC=C3)I)[C@H](CC4=CC(=CC(=C4)F)F)N

InChI

InChI=1S/C34H40F2IN3O3/c1-4-11-40(12-5-2)32(41)24-13-22(3)14-25(18-24)33(42)43-31(30(38)17-23-15-27(35)20-28(36)16-23)21-39-34(9-10-34)26-7-6-8-29(37)19-26/h6-8,13-16,18-20,30-31,39H,4-5,9-12,17,21,38H2,1-3H3/t30-,31+/m0/s1