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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > pyrrolidines > 4-[[[(3s,6r,7s,8as)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > 4-[[[(3s,6r,7s,8as)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > 4-[[[(3s,6r,7s,8as)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyrrolidines > 4-[[[(3s,6r,7s,8as)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > 4-[[[(3s,6r,7s,8as)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > 4-[[[(3s,6r,7s,8as)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyrrolidines > 4-[[[(3s,6r,7s,8as)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium

Preferred term

4-[[[(3s,6r,7s,8as)-3-(4-acetamidobutyl)-6-(4-hydroxyphenyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-oxomethyl]amino]butyl-trimethylammonium  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • +1

formula

  • C27H42N5O5

inchi

  • InChI=1S/C27H41N5O5/c1-18(33)28-14-6-5-9-22-27(37)31-23(26(36)30-22)17-21(24(31)19-10-12-20(34)13-11-19)25(35)29-15-7-8-16-32(2,3)4/h10-13,21-24H,5-9,14-17H2,1-4H3,(H3-,28,29,30,33,34,35,36)/p+1/t21-,22-,23-,24-/m0/s1

inchikey

  • PIFYBJQVXLOVIG-ZJZGAYNASA-O

mass

  • 516.654

monoisotopicmass

  • 516.31805

smiles

  • CC(=O)NCCCC[C@H]1C(=O)N2[C@@H](C[C@@H]([C@@H]2C3=CC=C(C=C3)O)C(=O)NCCCC[N+](C)(C)C)C(=O)N1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125197

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