2-azanyl-3-[5,6-dimethyl-1-(phosphonomethyl)benzimidazol-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5,6-dimethyl-1-(phosphonomethyl)benzimidazol-2-yl]propanoic acid Openeye Name: 2-amino-3-[5,6-dimethyl-1-(phosphonomethyl)benzimidazol-2-yl]propanoic acid CAS Name: 2-amino-3-[5,6-dimethyl-1-(phosphonomethyl)-2-benzimidazolyl]propanoic acid IUPAC Name: 2-amino-3-[5,6-dimethyl-1-(phosphonomethyl)benzimidazol-2-yl]propanoic acid Traditional Name: 2-amino-3-[5,6-dimethyl-1-(phosphonomethyl)benzimidazol-2-yl]propionic acid Formula: C13H18N3O5P MolecularWeight: 327.272881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CC(C(=O)O)N)CP(=O)(O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CC(C(=O)O)N)CP(=O)(O)O

InChI

InChI=1S/C13H18N3O5P/c1-7-3-10-11(4-8(7)2)16(6-22(19,20)21)12(15-10)5-9(14)13(17)18/h3-4,9H,5-6,14H2,1-2H3,(H,17,18)(H2,19,20,21)