N-[(2S,3S)-4-[2-(tert-butylcarbamoyl)phenyl]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-methyl-benzamide

Systemtic Name: N-[(2S,3S)-4-[2-(tert-butylcarbamoyl)phenyl]-3-oxidanyl-1-phenyl-butan-2-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-methyl-benzamide Openeye Name: N-[(1S,2S)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-propyl]-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-benzamide CAS Name: N-[(2S,3S)-4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-phenylbutan-2-yl]-3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-methylbenzamide IUPAC Name: N-[(2S,3S)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylbenzamide Traditional Name: N-[(1S,2S)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-propyl]-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-benzamide Formula: C39H43N3O4 MolecularWeight: 617.77642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)NC(CC2=CC=CC=C2)C(CC3=CC=CC=C3C(=O)NC(C)(C)C)O)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C=CC=C1C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3C(=O)NC(C)(C)C)O)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C39H43N3O4/c1-26-31(19-12-20-32(26)38(46)42-22-21-28-15-8-9-17-30(28)25-42)36(44)40-34(23-27-13-6-5-7-14-27)35(43)24-29-16-10-11-18-33(29)37(45)41-39(2,3)4/h5-20,34-35,43H,21-25H2,1-4H3,(H,40,44)(H,41,45)/t34-,35-/m0/s1