(2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid

Systemtic Name: (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid Openeye Name: (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(4-pyridylcarbamoyl)propyl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid CAS Name: (2S,4R)-2-butyl-4-[[[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]amino]-oxomethyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid IUPAC Name: (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid Traditional Name: (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(4-pyridylcarbamoyl)propyl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid Formula: C34H42FN3O4 MolecularWeight: 575.713383

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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)NC3=CC=NC=C3)C(C)(C)C)C(=O)O

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)NC3=CC=NC=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C34H42FN3O4/c1-5-6-7-27(33(41)42)22-26(13-10-23-8-11-24(12-9-23)25-14-16-28(35)17-15-25)31(39)38-30(34(2,3)4)32(40)37-29-18-20-36-21-19-29/h8-9,11-12,14-21,26-27,30H,5-7,10,13,22H2,1-4H3,(H,38,39)(H,41,42)(H,36,37,40)/t26-,27+,30-/m1/s1