4-[[3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[[3-[[2-[(6-aminocarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]benzoyl]amino]butanoic acid CAS Name: 4-[[[3-[[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]benzoyl]amino]butanoic acid Traditional Name: 4-[[3-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]benzoyl]amino]butyric acid Formula: C29H27N7O5 MolecularWeight: 553.56858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)NCCCC(=O)O)N=C1CC4=NC5=C(N4)C=C(C=C5)C(=O)N

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)NCCCC(=O)O)N=C1CC4=NC5=C(N4)C=C(C=C5)C(=O)N

InChI

InChI=1S/C29H27N7O5/c1-36-23-14-18(29(41)32-19-5-2-4-17(12-19)28(40)31-11-3-6-26(37)38)8-10-21(23)35-25(36)15-24-33-20-9-7-16(27(30)39)13-22(20)34-24/h2,4-5,7-10,12-14H,3,6,11,15H2,1H3,(H2,30,39)(H,31,40)(H,32,41)(H,33,34)(H,37,38)