N-tert-butyl-2-[(2S,3S)-3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]carbonylamino]-2-oxidanyl-4-phenyl-butyl]benzamide

Systemtic Name: N-tert-butyl-2-[(2S,3S)-3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]carbonylamino]-2-oxidanyl-4-phenyl-butyl]benzamide Openeye Name: N-tert-butyl-2-[(2S,3S)-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoyl]amino]-2-hydroxy-4-phenyl-butyl]benzamide CAS Name: N-tert-butyl-2-[(2S,3S)-3-[[[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-oxomethyl]amino]-2-hydroxy-4-phenylbutyl]benzamide IUPAC Name: N-tert-butyl-2-[(2S,3S)-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoyl]amino]-2-hydroxy-4-phenylbutyl]benzamide Traditional Name: N-tert-butyl-2-[(2S,3S)-3-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoyl]amino]-2-hydroxy-4-phenyl-butyl]benzamide Formula: C38H41N3O4 MolecularWeight: 603.74984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4)O

InChI

InChI=1S/C38H41N3O4/c1-38(2,3)40-36(44)32-19-10-9-15-28(32)24-34(42)33(22-26-12-5-4-6-13-26)39-35(43)29-17-11-18-30(23-29)37(45)41-21-20-27-14-7-8-16-31(27)25-41/h4-19,23,33-34,42H,20-22,24-25H2,1-3H3,(H,39,43)(H,40,44)/t33-,34-/m0/s1