3-[[2-(4-carbamimidoylphenyl)-1-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-morpholinopropyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[3-(4-morpholinyl)propyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-morpholin-4-ylpropyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-morpholinopropyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1COCCN1CCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H30N6O4/c26-23(27)17-2-4-18(5-3-17)24-29-20-16-19(25(34)28-9-8-22(32)33)6-7-21(20)31(24)11-1-10-30-12-14-35-15-13-30/h2-7,16H,1,8-15H2,(H3,26,27)(H,28,34)(H,32,33)