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2-(1H-imidazol-5-ylmethyl)-3-phosphono-1-(phosphonomethyl)aziridine-2-carboxylic acid

2-(1H-imidazol-5-ylmethyl)-3-phosphono-1-(phosphonomethyl)aziridine-2-carboxylic acid

Systemtic Name:2-(1H-imidazol-5-ylmethyl)-3-phosphono-1-(phosphonomethyl)aziridine-2-carboxylic acid
Openeye Name:2-(1H-imidazol-5-ylmethyl)-3-phosphono-1-(phosphonomethyl)aziridine-2-carboxylic acid
CAS Name:2-(1H-imidazol-5-ylmethyl)-3-phosphono-1-(phosphonomethyl)-2-aziridinecarboxylic acid
IUPAC Name:2-(1H-imidazol-5-ylmethyl)-3-phosphono-1-(phosphonomethyl)aziridine-2-carboxylic acid
Traditional Name:2-(1H-imidazol-5-ylmethyl)-3-phosphono-1-(phosphonomethyl)ethylenimine-2-carboxylic acid
Formula: C8H13N3O8P2
MolecularWeight: 341.151642
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC2(C(N2CP(=O)(O)O)P(=O)(O)O)C(=O)O


Isomeric SMILES

C1=C(NC=N1)CC2(C(N2CP(=O)(O)O)P(=O)(O)O)C(=O)O


InChI

InChI=1S/C8H13N3O8P2/c12-7(13)8(1-5-2-9-3-10-5)6(21(17,18)19)11(8)4-20(14,15)16/h2-3,6H,1,4H2,(H,9,10)(H,12,13)(H2,14,15,16)(H2,17,18,19)


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