2-(butoxycarbonylamino)-3-[[7-[(imidazolidin-2-ylamino)methyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 2-(butoxycarbonylamino)-3-[[7-[(imidazolidin-2-ylamino)methyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-(butoxycarbonylamino)-3-[[7-[(imidazolidin-2-ylamino)methyl]-1-methyl-4-oxo-quinoline-3-carbonyl]amino]propanoic acid CAS Name: 2-[[butoxy(oxo)methyl]amino]-3-[[[7-[(2-imidazolidinylamino)methyl]-1-methyl-4-oxo-3-quinolinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(butoxycarbonylamino)-3-[[7-[(imidazolidin-2-ylamino)methyl]-1-methyl-4-oxoquinoline-3-carbonyl]amino]propanoic acid Traditional Name: 2-(butoxycarbonylamino)-3-[[7-[(imidazolidin-2-ylamino)methyl]-4-keto-1-methyl-quinoline-3-carbonyl]amino]propionic acid Formula: C23H32N6O6 MolecularWeight: 488.53678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CNC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)CNC3NCCN3)C)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(CNC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)CNC3NCCN3)C)C(=O)O

InChI

InChI=1S/C23H32N6O6/c1-3-4-9-35-23(34)28-17(21(32)33)12-26-20(31)16-13-29(2)18-10-14(5-6-15(18)19(16)30)11-27-22-24-7-8-25-22/h5-6,10,13,17,22,24-25,27H,3-4,7-9,11-12H2,1-2H3,(H,26,31)(H,28,34)(H,32,33)