3-[2-[2-[(2-azanylquinolin-6-yl)carbonylamino]ethoxy]-4-carbamimidoyl-phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-[2-[(2-azanylquinolin-6-yl)carbonylamino]ethoxy]-4-carbamimidoyl-phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[2-[2-[(2-aminoquinoline-6-carbonyl)amino]ethoxy]-4-carbamimidoyl-phenyl]-2-oxo-propanoic acid CAS Name: 3-[2-[2-[[(2-amino-6-quinolinyl)-oxomethyl]amino]ethoxy]-4-carbamimidoylphenyl]-2-oxopropanoic acid IUPAC Name: 3-[2-[2-[(2-aminoquinoline-6-carbonyl)amino]ethoxy]-4-carbamimidoylphenyl]-2-oxopropanoic acid Traditional Name: 3-[4-amidino-2-[2-[(2-aminoquinoline-6-carbonyl)amino]ethoxy]phenyl]-2-keto-propionic acid Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)OCCNC(=O)C2=CC3=C(C=C2)N=C(C=C3)N)CC(=O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)OCCNC(=O)C2=CC3=C(C=C2)N=C(C=C3)N)CC(=O)C(=O)O

InChI

InChI=1S/C22H21N5O5/c23-19-6-4-12-9-15(3-5-16(12)27-19)21(29)26-7-8-32-18-11-14(20(24)25)2-1-13(18)10-17(28)22(30)31/h1-6,9,11H,7-8,10H2,(H2,23,27)(H3,24,25)(H,26,29)(H,30,31)