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

Systemtic Name: 2-[4-[tert-butylcarbamoyl-[(4-methoxyphenyl)methyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: 2-[1-benzyl-3-[tert-butylcarbamoyl-[(4-methoxyphenyl)methyl]amino]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: 2-[4-[[(tert-butylamino)-oxomethyl]-[(4-methoxyphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: 2-[4-[tert-butylcarbamoyl-[(4-methoxyphenyl)methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: 2-[1-benzyl-3-[tert-butylcarbamoyl(p-anisyl)amino]-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C37H44N6O6 MolecularWeight: 668.78186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC=C(C=C1)OC)CC(C(CC2=CC=CC=C2)C(CC(=O)N)(C(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CC=C(C=C1)OC)CC(C(CC2=CC=CC=C2)C(CC(=O)N)(C(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C37H44N6O6/c1-36(2,3)42-35(48)43(22-25-14-17-27(49-4)18-15-25)23-31(44)28(20-24-10-6-5-7-11-24)37(34(39)47,21-32(38)45)41-33(46)30-19-16-26-12-8-9-13-29(26)40-30/h5-19,28,31,44H,20-23H2,1-4H3,(H2,38,45)(H2,39,47)(H,41,46)(H,42,48)