N-[3-azanyl-4-[2-(tert-butylcarbamoyl)phenoxy]-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[3-azanyl-4-[2-(tert-butylcarbamoyl)phenoxy]-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[2-amino-1-benzyl-3-[2-(tert-butylcarbamoyl)phenoxy]propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[3-amino-4-[2-[(tert-butylamino)-oxomethyl]phenoxy]-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[3-amino-4-[2-(tert-butylcarbamoyl)phenoxy]-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[2-amino-1-benzyl-3-[2-(tert-butylcarbamoyl)phenoxy]propyl]-2-(quinaldoylamino)succinamide Formula: C35H40N6O5 MolecularWeight: 624.7293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1OCC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)N

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1OCC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C35H40N6O5/c1-35(2,3)41-32(43)24-14-8-10-16-30(24)46-21-25(36)28(19-22-11-5-4-6-12-22)39-34(45)29(20-31(37)42)40-33(44)27-18-17-23-13-7-9-15-26(23)38-27/h4-18,25,28-29H,19-21,36H2,1-3H3,(H2,37,42)(H,39,45)(H,40,44)(H,41,43)