N4-tert-butyl-3-(2-methylpropylamino)-4-oxidanyl-3-(phenylmethyl)-1-(quinolin-2-ylcarbonylamino)pentane-1,2,4-tricarboxamide

Systemtic Name: N4-tert-butyl-3-(2-methylpropylamino)-4-oxidanyl-3-(phenylmethyl)-1-(quinolin-2-ylcarbonylamino)pentane-1,2,4-tricarboxamide Openeye Name: 3-benzyl-N4-tert-butyl-4-hydroxy-3-(isobutylamino)-1-(quinoline-2-carbonylamino)pentane-1,2,4-tricarboxamide CAS Name: N4-tert-butyl-4-hydroxy-3-(2-methylpropylamino)-1-[[oxo(2-quinolinyl)methyl]amino]-3-(phenylmethyl)pentane-1,2,4-tricarboxamide IUPAC Name: 3-benzyl-4-N-tert-butyl-4-hydroxy-3-(2-methylpropylamino)-1-(quinoline-2-carbonylamino)pentane-1,2,4-tricarboxamide Traditional Name: 3-benzyl-N4-tert-butyl-4-hydroxy-3-(isobutylamino)-1-(quinaldoylamino)pentane-1,2,4-tricarboxamide Formula: C33H44N6O5 MolecularWeight: 604.73966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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