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2-azanyl-3-[1-(2-phosphonoethyl)benzimidazol-2-yl]propanoic acid

2-azanyl-3-[1-(2-phosphonoethyl)benzimidazol-2-yl]propanoic acid

Systemtic Name:2-azanyl-3-[1-(2-phosphonoethyl)benzimidazol-2-yl]propanoic acid
Openeye Name:2-amino-3-[1-(2-phosphonoethyl)benzimidazol-2-yl]propanoic acid
CAS Name:2-amino-3-[1-(2-phosphonoethyl)-2-benzimidazolyl]propanoic acid
IUPAC Name:2-amino-3-[1-(2-phosphonoethyl)benzimidazol-2-yl]propanoic acid
Traditional Name:2-amino-3-[1-(2-phosphonoethyl)benzimidazol-2-yl]propionic acid
Formula: C12H16N3O5P
MolecularWeight: 313.246301
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCP(=O)(O)O)CC(C(=O)O)N


Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCP(=O)(O)O)CC(C(=O)O)N


InChI

InChI=1S/C12H16N3O5P/c13-8(12(16)17)7-11-14-9-3-1-2-4-10(9)15(11)5-6-21(18,19)20/h1-4,8H,5-7,13H2,(H,16,17)(H2,18,19,20)


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