N-[(2S)-1-[[(2R)-1-[(2S)-2-(tert-butylcarbamoyl)-2-(4,6-dimethylpyrimidin-2-yl)oxy-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2R)-1-[(2S)-2-(tert-butylcarbamoyl)-2-(4,6-dimethylpyrimidin-2-yl)oxy-piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-1-[[(2R)-1-[(2S)-2-(tert-butylcarbamoyl)-2-(4,6-dimethylpyrimidin-2-yl)oxy-1-piperidyl]-2-hydroxy-4-phenyl-butyl]carbamoyl]-2-methyl-propyl]quinoline-2-carboxamide CAS Name: N-[(2S)-1-[[(2R)-1-[(2S)-2-[(tert-butylamino)-oxomethyl]-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-1-piperidinyl]-2-hydroxy-4-phenylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[[(2R)-1-[(2S)-2-(tert-butylcarbamoyl)-2-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-hydroxy-4-phenylbutyl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-1-[[(2R)-1-[(2S)-2-(tert-butylcarbamoyl)-2-(4,6-dimethylpyrimidin-2-yl)oxy-piperidino]-2-hydroxy-4-phenyl-butyl]carbamoyl]-2-methyl-propyl]quinaldamide Formula: C41H53N7O5 MolecularWeight: 723.90342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)OC2(CCCCN2C(C(CCC3=CC=CC=C3)O)NC(=O)C(C(C)C)NC(=O)C4=NC5=CC=CC=C5C=C4)C(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)O[C@@]2(CCCCN2C([C@@H](CCC3=CC=CC=C3)O)NC(=O)[C@H](C(C)C)NC(=O)C4=NC5=CC=CC=C5C=C4)C(=O)NC(C)(C)C)C

InChI

InChI=1S/C41H53N7O5/c1-26(2)34(45-36(50)32-21-20-30-17-11-12-18-31(30)44-32)37(51)46-35(33(49)22-19-29-15-9-8-10-16-29)48-24-14-13-23-41(48,38(52)47-40(5,6)7)53-39-42-27(3)25-28(4)43-39/h8-12,15-18,20-21,25-26,33-35,49H,13-14,19,22-24H2,1-7H3,(H,45,50)(H,46,51)(H,47,52)/t33-,34+,35?,41+/m1/s1