3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-fluoranyl-2-phenyl-phenyl)hexanoate

Systemtic Name: 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-fluoranyl-2-phenyl-phenyl)hexanoate Openeye Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-fluoro-2-phenyl-phenyl)hexanoate CAS Name: 3-[[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]amino]-oxomethyl]-6-(3-fluoro-2-phenylphenyl)hexanoate IUPAC Name: 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]-6-(3-fluoro-2-phenylphenyl)hexanoate Traditional Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]-6-(3-fluoro-2-phenyl-phenyl)hexanoate Formula: C33H38FN2O4- MolecularWeight: 545.664223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)C(CCCC2=C(C(=CC=C2)F)C3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)C(CCCC2=C(C(=CC=C2)F)C3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C33H39FN2O4/c1-22(23-13-7-5-8-14-23)35-32(40)30(33(2,3)4)36-31(39)26(21-28(37)38)19-11-17-25-18-12-20-27(34)29(25)24-15-9-6-10-16-24/h5-10,12-16,18,20,22,26,30H,11,17,19,21H2,1-4H3,(H,35,40)(H,36,39)(H,37,38)/p-1