N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-gamma-glutamyl-gamma-glutamylglutamic acid (CHEBI:43532)

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CHEBI:43532 - N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-γ-glutamyl-γ-glutamylglutamic acid

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ChEBI ID	CHEBI:43532
ChEBI Name	N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-γ-glutamyl-γ-glutamylglutamic acid
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ASCII Name	N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-gamma-glutamyl-gamma-glutamylglutamic acid
Last Modified	16 May 2008
Downloads	Molfile

Formula	C32H40F3N7O14
Net Charge	0
Average Mass	803.701
Monoisotopic Mass	803.25853
SMILES	[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(C(=O)O[H])N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C(=O)O[H])N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])C(=O)c1c([H])c([H])c([C@]([H])(C([H])([H])C([H])([H])C([H])([H])c2c(O[H])nc(N([H])[H])nc2N([H])[H])C(O[H])(O[H])C(F)(F)F)c([H])c1[H]
InChI	InChI=1S/C32H40F3N7O14/c33-32(34,35)31(55,56)17(3-1-2-16-24(36)41-30(37)42-26(16)48)14-4-6-15(7-5-14)25(47)40-20(29(53)54)9-12-22(44)38-18(27(49)50)8-11-21(43)39-19(28(51)52)10-13-23(45)46/h4-7,17-20,55-56H,1-3,8-13H2,(H,38,44)(H,39,43)(H,40,47)(H,45,46)(H,49,50)(H,51,52)(H,53,54)(H5,36,37,41,42,48)/t17-,18+,19+,20-/m0/s1
InChIKey	DJAOVLPLLJHHPY-NMLBUPMWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-γ-glutamyl-γ-glutamylglutamic acid (CHEBI:43532) is a aminopyrimidine (CHEBI:38338)
	N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-γ-glutamyl-γ-glutamylglutamic acid (CHEBI:43532) is a organofluorine compound (CHEBI:37143)
	N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-γ-glutamyl-γ-glutamylglutamic acid (CHEBI:43532) is a pyrimidone (CHEBI:38337)
	N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-γ-glutamyl-γ-glutamylglutamic acid (CHEBI:43532) is a tripeptide (CHEBI:47923)

Synonyms	Source
N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID	PDBeChem
N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-gamma-glutamyl-gamma-glutamylglutamic acid	PDBeChem

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