4-[2-(4-carbamimidoylphenyl)-5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]benzimidazol-1-yl]butanoic acid

Systemtic Name: 4-[2-(4-carbamimidoylphenyl)-5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]benzimidazol-1-yl]butanoic acid Openeye Name: 4-[2-(4-carbamimidoylphenyl)-5-[(3-methoxy-3-oxo-propyl)carbamoyl]benzimidazol-1-yl]butanoic acid CAS Name: 4-[2-(4-carbamimidoylphenyl)-5-[[(3-methoxy-3-oxopropyl)amino]-oxomethyl]-1-benzimidazolyl]butanoic acid IUPAC Name: 4-[2-(4-carbamimidoylphenyl)-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzimidazol-1-yl]butanoic acid Traditional Name: 4-[2-(4-amidinophenyl)-5-[(3-keto-3-methoxy-propyl)carbamoyl]benzimidazol-1-yl]butyric acid Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCC(=O)O

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCCC(=O)O

InChI

InChI=1S/C23H25N5O5/c1-33-20(31)10-11-26-23(32)16-8-9-18-17(13-16)27-22(28(18)12-2-3-19(29)30)15-6-4-14(5-7-15)21(24)25/h4-9,13H,2-3,10-12H2,1H3,(H3,24,25)(H,26,32)(H,29,30)