4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxidanylidene-2-pyrrol-1-yl-butanoic acid

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxidanylidene-2-pyrrol-1-yl-butanoic acid Openeye Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-2-pyrrol-1-yl-butanoic acid CAS Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-2-(1-pyrrolyl)butanoic acid IUPAC Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-2-pyrrol-1-ylbutanoic acid Traditional Name: 4-[4-(4-amidinophenyl)butylamino]-4-keto-2-pyrrol-1-yl-butyric acid Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C(CC(=O)NCCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CN(C=C1)C(CC(=O)NCCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C19H24N4O3/c20-18(21)15-8-6-14(7-9-15)5-1-2-10-22-17(24)13-16(19(25)26)23-11-3-4-12-23/h3-4,6-9,11-12,16H,1-2,5,10,13H2,(H3,20,21)(H,22,24)(H,25,26)