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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44N6O5/c1-20(2)19-39(31(44)38-32(4,5)6)33(21(3)40,18-22-12-8-7-9-13-22)26(28(34)41)27(29(35)42)37-30(43)25-17-16-23-14-10-11-15-24(23)36-25/h7-17,20-21,26-27,40H,18-19H2,1-6H3,(H2,34,41)(H2,35,42)(H,37,43)(H,38,44)