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

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]carbonyl-phenyl-amino]propanoic acid hydrochloride Openeye Name: 3-(N-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxaline-6-carbonyl]anilino)propanoic acid hydrochloride CAS Name: 3-(N-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-oxomethyl]anilino)propanoic acid hydrochloride IUPAC Name: 3-(N-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxaline-6-carbonyl]anilino)propanoic acid hydrochloride Traditional Name: 3-(N-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxaline-6-carbonyl]anilino)propionic acid hydrochloride Formula: C27H26ClN5O4 MolecularWeight: 519.97944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C27H25N5O4.ClH/c1-31-23-12-11-19(26(35)32(14-13-24(33)34)20-5-3-2-4-6-20)16-21(23)30-22(27(31)36)15-17-7-9-18(10-8-17)25(28)29;/h2-12,16H,13-15H2,1H3,(H3,28,29)(H,33,34);1H