2-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropanecarbonyl]amino]acetic acid CAS Name: 2-[[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]cyclopropyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropanecarbonyl]amino]acetic acid Traditional Name: 2-[[1-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclopropanecarbonyl]amino]acetic acid Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)NCC(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)NCC(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H23N5O4/c1-28-18-7-6-15(23(8-9-23)22(32)26-12-19(29)30)11-16(18)27-17(21(28)31)10-13-2-4-14(5-3-13)20(24)25/h2-7,11H,8-10,12H2,1H3,(H3,24,25)(H,26,32)(H,29,30)