tert-butyl (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoate

Systemtic Name: tert-butyl (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoate Openeye Name: tert-butyl (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoate CAS Name: (2S,4R)-2-butyl-4-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoate Traditional Name: (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid tert-butyl ester Formula: C34H49FN2O4 MolecularWeight: 568.762263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC=C(C=C2)F)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[C@@H](C[C@@H](CCC1=CC=C(C=C1)C2=CC=C(C=C2)F)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H49FN2O4/c1-9-10-11-27(32(40)41-34(5,6)7)22-26(30(38)37-29(31(39)36-8)33(2,3)4)17-14-23-12-15-24(16-13-23)25-18-20-28(35)21-19-25/h12-13,15-16,18-21,26-27,29H,9-11,14,17,22H2,1-8H3,(H,36,39)(H,37,38)/t26-,27+,29-/m1/s1