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

Systemtic Name: N-[4-[tert-butylcarbamoyl(phenethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-benzyl-3-[tert-butylcarbamoyl(phenethyl)amino]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[[(tert-butylamino)-oxomethyl]-phenethylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[tert-butylcarbamoyl(phenethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-benzyl-3-[tert-butylcarbamoyl(phenethyl)amino]-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C37H44N6O5 MolecularWeight: 652.78246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CCC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)N(CCC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C37H44N6O5/c1-37(2,3)42-36(48)43(21-20-25-12-6-4-7-13-25)24-32(44)30(22-26-14-8-5-9-15-26)40-35(47)31(23-33(38)45)41-34(46)29-19-18-27-16-10-11-17-28(27)39-29/h4-19,30-32,44H,20-24H2,1-3H3,(H2,38,45)(H,40,47)(H,41,46)(H,42,48)