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-glutamyl-gamma-glutamyl-gamma-glutamylglutamic acid (CHEBI:43671)

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CHEBI:43671 - 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-glutamyl-γ-glutamyl-γ-glutamylglutamic acid

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ChEBI ID	CHEBI:43671
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-glutamyl-γ-glutamyl-γ-glutamylglutamic acid
Stars
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-glutamyl-gamma-glutamyl-gamma-glutamylglutamic acid
Last Modified	16 May 2008
Downloads	Molfile

Formula	C42H54F3N9O20
Net Charge	0
Average Mass	1061.931
Monoisotopic Mass	1061.34372
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)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/C42H54F3N9O20/c43-42(44,45)41(73,74)21(3-1-2-20-32(46)53-40(47)54-34(20)62)18-4-6-19(7-5-18)33(61)52-26(39(71)72)11-16-30(58)50-24(37(67)68)9-14-28(56)48-22(35(63)64)8-13-27(55)49-23(36(65)66)10-15-29(57)51-25(38(69)70)12-17-31(59)60/h4-7,21-26,73-74H,1-3,8-17H2,(H,48,56)(H,49,55)(H,50,58)(H,51,57)(H,52,61)(H,59,60)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H5,46,47,53,54,62)/t21-,22+,23+,24+,25+,26-/m0/s1
InChIKey	IWEGOVKIJZGOSL-QHSXUUMZSA-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-glutamyl-γ-glutamyl-γ-glutamylglutamic acid (CHEBI:43671) 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-glutamyl-γ-glutamyl-γ-glutamylglutamic acid (CHEBI:43671) 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-glutamyl-γ-glutamyl-γ-glutamylglutamic acid (CHEBI:43671) is a pentapeptide (CHEBI:48545)
	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-glutamyl-γ-glutamyl-γ-glutamylglutamic acid (CHEBI:43671) is a pyrimidone (CHEBI:38337)

Synonyms	Source
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-glutamyl-gamma-glutamyl-gamma-glutamylglutamic acid	PDBeChem
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-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID	PDBeChem

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