3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-3-yl-amino]propanoic acid

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-3-yl-amino]propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(3-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(3-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-3-ylamino]propanoic acid Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(3-pyridyl)amino]propionic acid Formula: C25H25N7O4 MolecularWeight: 487.5105

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(=O)N(CCC(=O)O)C3=CN=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC(=O)N(CCC(=O)O)C3=CN=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H25N7O4/c1-31-21-9-8-19(36-25(35)32(12-10-23(33)34)18-3-2-11-28-14-18)13-20(21)30-22(31)15-29-17-6-4-16(5-7-17)24(26)27/h2-9,11,13-14,29H,10,12,15H2,1H3,(H3,26,27)(H,33,34)