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

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-(2-methylpropyl)amino]propanoic acid Openeye Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxaline-6-carbonyl]-isobutyl-amino]propanoic acid CAS Name: 3-[[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-oxomethyl]-(2-methylpropyl)amino]propanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxaline-6-carbonyl]-(2-methylpropyl)amino]propanoic acid Traditional Name: 3-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxaline-6-carbonyl]-isobutyl-amino]propionic acid Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O4/c1-15(2)14-30(11-10-22(31)32)24(33)18-8-9-21-19(13-18)28-20(25(34)29(21)3)12-16-4-6-17(7-5-16)23(26)27/h4-9,13,15H,10-12,14H2,1-3H3,(H3,26,27)(H,31,32)