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CHEBI:41342 - 1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)benzoylamino]propyl}piperazin-1-yl)propylamino]carbonyloxy)-2-aminopropane

ChEBI IDCHEBI:41342
ChEBI Name1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)benzoylamino]propyl}piperazin-1-yl)propylamino]carbonyloxy)-2-aminopropane
Stars
Last Modified20 September 2012
DownloadsMolfile
FormulaC51H79N11O22
Net Charge0
Average Mass1198.248
Monoisotopic Mass1197.54011
SMILES[H]OC([H])([H])[C@]1([H])O[C@]([H])(Oc2c([H])c(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)OC([H])([H])[C@@]([H])(N([H])[H])C([H])([H])OC(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N4C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)c5c([H])c(O[C@@]6([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H])c([H])c([N+](=O)[O-])c5[H])C([H])([H])C4([H])[H])C([H])([H])C3([H])[H])c([H])c([N+](=O)[O-])c2[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C51H79N11O22/c52-33(29-79-50(73)55-7-3-11-59-17-13-57(14-18-59)9-1-5-53-46(71)31-21-34(61(75)76)25-36(23-31)81-48-44(69)42(67)40(65)38(27-63)83-48)30-80-51(74)56-8-4-12-60-19-15-58(16-20-60)10-2-6-54-47(72)32-22-35(62(77)78)26-37(24-32)82-49-45(70)43(68)41(66)39(28-64)84-49/h21-26,33,38-45,48-49,63-70H,1-20,27-30,52H2,(H,53,71)(H,54,72)(H,55,73)(H,56,74)/t33-,38+,39-,40-,41+,42-,43+,44-,45-,48+,49+/m1/s1
InChIKeyRJLCAAJYVGPDFG-HCXAFDEDSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)benzoylamino]propyl}piperazin-1-yl)propylamino]carbonyloxy)-2-aminopropane (CHEBI:41342) is a C-nitro compound (CHEBI:35716)
1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)benzoylamino]propyl}piperazin-1-yl)propylamino]carbonyloxy)-2-aminopropane (CHEBI:41342) is a N-alkylpiperazine (CHEBI:46845)
1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)benzoylamino]propyl}piperazin-1-yl)propylamino]carbonyloxy)-2-aminopropane (CHEBI:41342) is a carbamate ester (CHEBI:23003)
1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)benzoylamino]propyl}piperazin-1-yl)propylamino]carbonyloxy)-2-aminopropane (CHEBI:41342) is a galactoside (CHEBI:24163)
1,3-bis-([3-(4-{3-[3-nitro-5-(galactopyranosyloxy)benzoylamino]propyl}piperazin-1-yl)propylamino]carbonyloxy)-2-aminopropane (CHEBI:41342) is a monosaccharide derivative (CHEBI:63367)
Synonyms  Source
1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANEPDBeChem
2-amino-3-[({3-[4-(3-{[(3-nitro-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}carbamoyl)oxy]propyl {3-[4-(3-{[(3-nitro-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}phenyl)carbonyl]amino}propyl)piperazin-1-yl]propyl}carbamate (non-preferred name)PDBeChem
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