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CHEBI:41209 - 3-(galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(galactopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide

ChEBI IDCHEBI:41209
ChEBI Name3-(galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(galactopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide
Stars
ASCII Name3-(galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(galactopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide
Last Modified20 September 2012
DownloadsMolfile
FormulaC50H72N10O20
Net Charge0
Average Mass1133.176
Monoisotopic Mass1132.49243
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])c4c(N([H])C([H])([H])C([H])([H])C([H])([H])N5C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)c6c([H])c(O[C@@]7([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])c([H])c([N+](=O)[O-])c6[H])C([H])([H])C5([H])[H])c(=O)c4=O)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/C50H72N10O20/c61-27-35-39(63)43(67)45(69)49(79-35)77-33-23-29(21-31(25-33)59(73)74)47(71)53-7-3-11-57-17-13-55(14-18-57)9-1-5-51-37-38(42(66)41(37)65)52-6-2-10-56-15-19-58(20-16-56)12-4-8-54-48(72)30-22-32(60(75)76)26-34(24-30)78-50-46(70)44(68)40(64)36(28-62)80-50/h21-26,35-36,39-40,43-46,49-52,61-64,67-70H,1-20,27-28H2,(H,53,71)(H,54,72)/t35-,36+,39+,40-,43+,44-,45-,46-,49+,50+/m1/s1
InChIKeyWWGXKLSKKKQRMN-IRMXONEKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(galactopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide (CHEBI:41209) is a C-nitro compound (CHEBI:35716)
3-(galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(galactopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide (CHEBI:41209) is a N-alkylpiperazine (CHEBI:46845)
3-(galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(galactopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide (CHEBI:41209) is a benzamides (CHEBI:22702)
3-(galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(galactopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide (CHEBI:41209) is a cyclobutenone (CHEBI:46944)
3-(galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(galactopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide (CHEBI:41209) is a galactoside (CHEBI:24163)
3-(galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(galactopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide (CHEBI:41209) is a monosaccharide derivative (CHEBI:63367)
Synonyms  Source
[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENEPDBeChem
3-(alpha-D-galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(hexopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamidePDBeChem
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