2-[[5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoyl]amino]acetic acid CAS Name: 2-[[5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-1,5-dioxopentyl]amino]acetic acid IUPAC Name: 2-[[5-(4-ethoxycarbonylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoyl]amino]acetic acid Traditional Name: 2-[[5-(4-carbethoxypiperazino)-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]pentanoyl]amino]acetic acid Formula: C25H31N5O8 MolecularWeight: 529.54234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O8/c1-3-38-25(36)30-12-10-29(11-13-30)24(35)18(8-9-21(31)26-15-22(32)33)28-23(34)19-14-20(37-2)16-6-4-5-7-17(16)27-19/h4-7,14,18H,3,8-13,15H2,1-2H3,(H,26,31)(H,28,34)(H,32,33)