2-[[3-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid

Systemtic Name: 2-[[3-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[3-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[3-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[3-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[3-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C21H22N5O6P MolecularWeight: 471.403041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)CC3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)CC3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C21H22N5O6P/c1-11-3-5-13-15(7-11)23-18(22-13)9-19-24-14-6-4-12(8-17(14)26(19)2)20(27)25-16(21(28)29)10-33(30,31)32/h3-8,16H,9-10H2,1-2H3,(H,22,23)(H,25,27)(H,28,29)(H2,30,31,32)