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CHEBI:40671 - N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide

ChEBI IDCHEBI:40671
ChEBI NameN-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide
Stars
ASCII NameN-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide
Last Modified29 January 2008
DownloadsMolfile
FormulaC41H60N7O13P
Net Charge0
Average Mass889.941
Monoisotopic Mass889.39867
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)C(O[H])(O[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)c1nc([H])c([H])nc1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])=C([H])[H])C([H])([H])c1c([H])c([H])c(OP(=O)(O[H])O[H])c([H])c1[H]
InChIInChI=1S/C41H60N7O13P/c1-6-11-33(41(56,57)40(55)46-31(39(53)54)22-27-14-16-28(17-15-27)61-62(58,59)60)47-35(49)30(21-26-12-9-8-10-13-26)45-38(52)34(25(5)7-2)48-36(50)29(20-24(3)4)44-37(51)32-23-42-18-19-43-32/h6,14-19,23-26,29-31,33-34,56-57H,1,7-13,20-22H2,2-5H3,(H,44,51)(H,45,52)(H,46,55)(H,47,49)(H,48,50)(H,53,54)(H2,58,59,60)/t25-,29-,30-,31-,33-,34-/m0/s1
InChIKeyNANINTGNSYDVAR-PBWGIQFFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide (CHEBI:40671) is a aryl phosphate (CHEBI:36943)
N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide (CHEBI:40671) is a pyrazines (CHEBI:38314)
N-(pyrazin-2-ylcarbonyl)-L-leucyl-L-isoleucyl-N-{(1S)-1-[2-({(1S)-1-carboxy-2-[4-(phosphonooxy)phenyl]ethyl}amino)-1,1-dihydroxy-2-oxoethyl]but-3-en-1-yl}-3-cyclohexyl-L-alaninamide (CHEBI:40671) is a tripeptide (CHEBI:47923)
Synonym  Source
N-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-1,1-DIHYDROXY-2-OXOETHYL]BUT-3-ENYL}-3-CYCLOHEXYLALANINAMIDEPDBeChem
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