(6-carbamimidoylnaphthalen-2-yl) 5-[[(5-azanyl-5-oxidanylidene-pentanoyl)amino]methyl]furan-2-carboxylate hydrochloride

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 5-[[(5-azanyl-5-oxidanylidene-pentanoyl)amino]methyl]furan-2-carboxylate hydrochloride Openeye Name: (6-carbamimidoyl-2-naphthyl) 5-[[(5-amino-5-oxo-pentanoyl)amino]methyl]furan-2-carboxylate hydrochloride CAS Name: 5-[[(5-amino-1,5-dioxopentyl)amino]methyl]-2-furancarboxylic acid (6-carbamimidoyl-2-naphthalenyl) ester hydrochloride IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 5-[[(5-amino-5-oxopentanoyl)amino]methyl]furan-2-carboxylate hydrochloride Traditional Name: 5-[[(5-amino-5-keto-pentanoyl)amino]methyl]furan-2-carboxylic acid (6-amidino-2-naphthyl) ester hydrochloride Formula: C22H23ClN4O5 MolecularWeight: 458.89482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)CCCC(=O)N)C=C1C(=N)N.Cl

Isomeric SMILES

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)CCCC(=O)N)C=C1C(=N)N.Cl

InChI

InChI=1S/C22H22N4O5.ClH/c23-19(27)2-1-3-20(28)26-12-17-8-9-18(30-17)22(29)31-16-7-6-13-10-15(21(24)25)5-4-14(13)11-16;/h4-11H,1-3,12H2,(H2,23,27)(H3,24,25)(H,26,28);1H