4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoic acid hydrochloride

Systemtic Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoic acid hydrochloride Openeye Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-cyclopentyl-amino]-4-oxo-butanoic acid hydrochloride CAS Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-cyclopentylamino]-4-oxobutanoic acid hydrochloride IUPAC Name: 4-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-cyclopentylamino]-4-oxobutanoic acid hydrochloride Traditional Name: 4-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-cyclopentyl-amino]-4-keto-butyric acid hydrochloride Formula: C26H30ClN5O4 MolecularWeight: 512.0005

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C3CCCC3)C(=O)CCC(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C3CCCC3)C(=O)CCC(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C26H29N5O4.ClH/c1-30-22-11-10-19(31(18-4-2-3-5-18)23(32)12-13-24(33)34)15-20(22)29-21(26(30)35)14-16-6-8-17(9-7-16)25(27)28;/h6-11,15,18H,2-5,12-14H2,1H3,(H3,27,28)(H,33,34);1H