2-[[3-[(5-carbamimidoylthiophen-2-yl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[(5-carbamimidoylthiophen-2-yl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[3-[(5-carbamimidoyl-2-thienyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[3-[(5-carbamimidoyl-2-thiophenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[3-[(5-carbamimidoylthiophen-2-yl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[3-[(5-amidino-2-thienyl)methyl]-2-keto-1-methyl-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C26H22N6O5S2 MolecularWeight: 562.62008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C(C1=O)CC5=CC=C(S5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C(C1=O)CC5=CC=C(S5)C(=N)N

InChI

InChI=1S/C26H22N6O5S2/c1-31-20-9-7-16(12-18(20)30-19(26(31)35)13-17-8-10-21(38-17)25(27)28)32(14-23(33)34)39(36,37)22-6-2-4-15-5-3-11-29-24(15)22/h2-12H,13-14H2,1H3,(H3,27,28)(H,33,34)