2-[[2-(acetamidomethyl)-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid

Systemtic Name: 2-[[2-(acetamidomethyl)-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-(acetamidomethyl)-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-(acetamidomethyl)-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-(acetamidomethyl)-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-(acetamidomethyl)-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C15H19N4O7P MolecularWeight: 398.307721

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=NC2=C(N1C)C=C(C=C2)C(=O)NC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CC(=O)NCC1=NC2=C(N1C)C=C(C=C2)C(=O)NC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C15H19N4O7P/c1-8(20)16-6-13-17-10-4-3-9(5-12(10)19(13)2)14(21)18-11(15(22)23)7-27(24,25)26/h3-5,11H,6-7H2,1-2H3,(H,16,20)(H,18,21)(H,22,23)(H2,24,25,26)