[4-(4-hydroxyphenyl)-3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-butyl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [4-(4-hydroxyphenyl)-3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-butyl] 2,6-bis(fluoranyl)benzoate Openeye Name: [3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-(4-hydroxyphenyl)-2-oxo-butyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [4-(4-hydroxyphenyl)-3-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-oxobutyl] ester IUPAC Name: [4-(4-hydroxyphenyl)-3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxobutyl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-(4-hydroxyphenyl)-2-keto-butyl] ester Formula: C31H32F2N2O7 MolecularWeight: 582.591786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)COC(=O)C2=C(C=CC=C2F)F)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)COC(=O)C2=C(C=CC=C2F)F)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H32F2N2O7/c1-19(2)15-26(35-31(40)42-17-21-7-4-3-5-8-21)29(38)34-25(16-20-11-13-22(36)14-12-20)27(37)18-41-30(39)28-23(32)9-6-10-24(28)33/h3-14,19,25-26,36H,15-18H2,1-2H3,(H,34,38)(H,35,40)