ethyl 4-[[2-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[1-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-2-ethoxy-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[2-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-1-ethoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-1-ethoxy-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[1-[3-(3-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-2-ethoxy-2-keto-1-methyl-ethyl]amino]-4-keto-butyric acid ethyl ester Formula: C28H33N5O6 MolecularWeight: 535.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(C)(C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=CC(=C3)C(=N)N)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCC(=O)NC(C)(C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=CC(=C3)C(=N)N)C)C(=O)OCC

InChI

InChI=1S/C28H33N5O6/c1-5-38-24(35)13-12-23(34)32-28(3,27(37)39-6-2)19-10-11-22-20(16-19)31-21(26(36)33(22)4)15-17-8-7-9-18(14-17)25(29)30/h7-11,14,16H,5-6,12-13,15H2,1-4H3,(H3,29,30)(H,32,34)