5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[4-[(tert-butylamino)-oxomethyl]-1-piperazinyl]-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[4-(tert-butylcarbamoyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-[4-(tert-butylcarbamoyl)piperazino]-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid Formula: C25H33N5O6 MolecularWeight: 499.55942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C25H33N5O6/c1-25(2,3)28-24(35)30-13-11-29(12-14-30)23(34)18(9-10-21(31)32)27-22(33)19-15-20(36-4)16-7-5-6-8-17(16)26-19/h5-8,15,18H,9-14H2,1-4H3,(H,27,33)(H,28,35)(H,31,32)