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

Systemtic Name: 2-[[2-[1-(1H-imidazol-2-yl)ethyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-[1-(1H-imidazol-2-yl)ethyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-[1-(1H-imidazol-2-yl)ethyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-[1-(1H-imidazol-2-yl)ethyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-[1-(1H-imidazol-2-yl)ethyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C17H20N5O6P MolecularWeight: 421.344361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CN1)C2=NC3=C(N2C)C=C(C=C3)C(=O)NC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CC(C1=NC=CN1)C2=NC3=C(N2C)C=C(C=C3)C(=O)NC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C17H20N5O6P/c1-9(14-18-5-6-19-14)15-20-11-4-3-10(7-13(11)22(15)2)16(23)21-12(17(24)25)8-29(26,27)28/h3-7,9,12H,8H2,1-2H3,(H,18,19)(H,21,23)(H,24,25)(H2,26,27,28)