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

Systemtic Name: N-(tert-butylcarbamoyl)-N-[4-(2-methylpropylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-benzyl-2-hydroxy-3-(isobutylamino)propyl]-N-(tert-butylcarbamoyl)-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[(tert-butylamino)-oxomethyl]-N-[3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-(tert-butylcarbamoyl)-N-[3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-benzyl-2-hydroxy-3-(isobutylamino)propyl]-N-(tert-butylcarbamoyl)-2-(quinaldoylamino)succinamide Formula: C33H44N6O5 MolecularWeight: 604.73966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC(C(CC1=CC=CC=C1)N(C(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NC(C)(C)C)O

Isomeric SMILES

CC(C)CNCC(C(CC1=CC=CC=C1)N(C(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NC(C)(C)C)O

InChI

InChI=1S/C33H44N6O5/c1-21(2)19-35-20-28(40)27(17-22-11-7-6-8-12-22)39(32(44)38-33(3,4)5)31(43)26(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)36-25/h6-16,21,26-28,35,40H,17-20H2,1-5H3,(H2,34,41)(H,37,42)(H,38,44)