2-[4-[[1-(tert-butylcarbamoyl)naphthalen-2-yl]methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: 2-[4-[[1-(tert-butylcarbamoyl)naphthalen-2-yl]methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: 2-[1-benzyl-3-[[1-(tert-butylcarbamoyl)-2-naphthyl]methylamino]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: 2-[4-[[1-[(tert-butylamino)-oxomethyl]-2-naphthalenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: 2-[4-[[1-(tert-butylcarbamoyl)naphthalen-2-yl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: 2-[1-benzyl-3-[[1-(tert-butylcarbamoyl)-2-naphthyl]methylamino]-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C40H44N6O5 MolecularWeight: 688.81456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CNCC(C(CC3=CC=CC=C3)C(CC(=O)N)(C(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CNCC(C(CC3=CC=CC=C3)C(CC(=O)N)(C(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C40H44N6O5/c1-39(2,3)45-37(50)35-28(18-17-26-13-7-9-15-29(26)35)23-43-24-33(47)30(21-25-11-5-4-6-12-25)40(38(42)51,22-34(41)48)46-36(49)32-20-19-27-14-8-10-16-31(27)44-32/h4-20,30,33,43,47H,21-24H2,1-3H3,(H2,41,48)(H2,42,51)(H,45,50)(H,46,49)