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

Systemtic Name: 2-[3-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]butanoylamino]ethanoic acid Openeye Name: 2-[3-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]butanoylamino]acetic acid CAS Name: 2-[[3-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[3-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]butanoylamino]acetic acid Traditional Name: 2-[3-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]butanoylamino]acetic acid Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC(=O)O)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CC(CC(=O)NCC(=O)O)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C23H25N5O4/c1-13(9-20(29)26-12-21(30)31)16-7-8-19-17(11-16)27-18(23(32)28(19)2)10-14-3-5-15(6-4-14)22(24)25/h3-8,11,13H,9-10,12H2,1-2H3,(H3,24,25)(H,26,29)(H,30,31)