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CHEBI:45594 - 1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-pyrrolidin-3-ylcarbonylamino)propan-2-yl diphosphate

ChEBI IDCHEBI:45594
ChEBI Name1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-pyrrolidin-3-ylcarbonylamino)propan-2-yl diphosphate
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H29N7O11P2
Net Charge0
Average Mass581.416
Monoisotopic Mass581.14003
SMILES[H]ON1C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])[C@@]([H])(O[P@@](=O)(O[H])OP(=O)(O[H])O[H])C([H])([H])N([H])c2c([H])c([H])c(N=[N+]=[N-])c([H])c2[N+](=O)[O-])C1(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C18H29N7O11P2/c1-17(2)8-13(18(3,4)25(17)29)16(26)21-10-12(35-38(33,34)36-37(30,31)32)9-20-14-6-5-11(22-23-19)7-15(14)24(27)28/h5-7,12-13,20,29H,8-10H2,1-4H3,(H,21,26)(H,33,34)(H2,30,31,32)/t12-,13-/m0/s1
InChIKeyHZRFLJTVCVQAIS-STQMWFEESA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-pyrrolidin-3-ylcarbonylamino)propan-2-yl diphosphate (CHEBI:45594) is a C-nitro compound (CHEBI:35716)
1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-pyrrolidin-3-ylcarbonylamino)propan-2-yl diphosphate (CHEBI:45594) is a alkyl diphosphate (CHEBI:46731)
1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-pyrrolidin-3-ylcarbonylamino)propan-2-yl diphosphate (CHEBI:45594) is a aminoxyls (CHEBI:39477)
1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-pyrrolidin-3-ylcarbonylamino)propan-2-yl diphosphate (CHEBI:45594) is a azide (CHEBI:22680)
1-(4-azido-2-nitrophenyl)amino-3-(1-oxyl-2,2,5,5-pyrrolidin-3-ylcarbonylamino)propan-2-yl diphosphate (CHEBI:45594) is a pyrrolidinecarboxamide (CHEBI:46770)
Synonym  Source
(1S)-2-[(4-azido-2-nitrophenyl)amino]-1-[({[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]carbonyl}amino)methyl]ethyl trihydrogen diphosphatePDBeChem
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