ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-(2-methylpropyl)amino]propanoate

Systemtic Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-(2-methylpropyl)amino]propanoate Openeye Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxaline-6-carbonyl]-isobutyl-amino]propanoate CAS Name: 3-[[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-oxomethyl]-(2-methylpropyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxaline-6-carbonyl]-(2-methylpropyl)amino]propanoate Traditional Name: 3-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxaline-6-carbonyl]-isobutyl-amino]propionic acid ethyl ester Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O4/c1-5-36-24(33)12-13-32(16-17(2)3)26(34)20-10-11-23-21(15-20)30-22(27(35)31(23)4)14-18-6-8-19(9-7-18)25(28)29/h6-11,15,17H,5,12-14,16H2,1-4H3,(H3,28,29)