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

Systemtic Name: ethyl 2-[[2-[3-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-1H-quinoxalin-6-yl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]amino]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[1-[3-[(3-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]amino]-3-oxo-butanoate CAS Name: 2-[[2-[3-[(3-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]amino]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-[(3-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-3-oxobutanoate Traditional Name: 2-[[1-[3-(3-amidinobenzyl)-2-keto-1H-quinoxalin-6-yl]-2-keto-1-methyl-2-pyrrolidino-ethyl]amino]-3-keto-butyric acid ethyl ester Formula: C29H34N6O5 MolecularWeight: 546.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)NC(C)(C1=CC2=C(C=C1)NC(=O)C(=N2)CC3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C(C(=O)C)NC(C)(C1=CC2=C(C=C1)NC(=O)C(=N2)CC3=CC=CC(=C3)C(=N)N)C(=O)N4CCCC4

InChI

InChI=1S/C29H34N6O5/c1-4-40-27(38)24(17(2)36)34-29(3,28(39)35-12-5-6-13-35)20-10-11-21-22(16-20)32-23(26(37)33-21)15-18-8-7-9-19(14-18)25(30)31/h7-11,14,16,24,34H,4-6,12-13,15H2,1-3H3,(H3,30,31)(H,33,37)