2-[[3-methyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid

Systemtic Name: 2-[[3-methyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[3-methyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[3-methyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[3-methyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]benzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[3-methyl-2-[(4-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=C2C(=CC=C1)NC(=N2)CC3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=N2)CC3=NC4=C(N3C)C=C(C=C4)C(=O)NC(CP(=O)(O)O)C(=O)O

InChI

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