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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > 2,2',2''-((2r,5r,8s,11r)-11-((2r,4s,5e,7e,9e)-2,4-dihydroxypentadeca-5,7,9-trien-1-yl)-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-2,5,8-triyl)triacetamide

Preferred term

2,2',2''-((2r,5r,8s,11r)-11-((2r,4s,5e,7e,9e)-2,4-dihydroxypentadeca-5,7,9-trien-1-yl)-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-2,5,8-triyl)triacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C33H52N8O10

inchi

  • InChI=1S/C33H52N8O10/c1-2-3-4-5-6-7-8-9-10-11-21(42)16-22(43)14-20-15-30(48)37-13-12-29(47)39-23(17-26(34)44)32(50)41-25(19-28(36)46)33(51)40-24(18-27(35)45)31(49)38-20/h6-11,20-25,42-43H,2-5,12-19H2,1H3,(H2,34,44)(H2,35,45)(H2,36,46)(H,37,48)(H,38,49)(H,39,47)(H,40,51)(H,41,50)/b7-6+,9-8+,11-10+/t20-,21-,22-,23-,24+,25-/m1/s1

inchikey

  • PEHNPDFVODTXIN-NOVOHZFLSA-N

mass

  • 720.825

monoisotopicmass

  • 720.38064

smiles

  • [C@@H]1(C(=O)N[C@H](C[C@H](C[C@@H](/C=C/C=C/C=C/CCCCC)O)O)CC(=O)NCCC(N[C@@H](C(=O)N[C@@H](C(N1)=O)CC(N)=O)CC(N)=O)=O)CC(=O)N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167190

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