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Concept information

Preferred term

Unguisin E  

Type

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

Broader concept

charge

  • 0

formula

  • C41H56N8O7

inchi

  • InChI=1S/C41H56N8O7/c1-22(2)33-39(54)45-26(7)36(51)46-31(20-28-21-43-30-17-12-11-16-29(28)30)38(53)42-19-13-18-32(50)44-25(6)37(52)47-34(23(3)4)40(55)49-35(41(56)48-33)24(5)27-14-9-8-10-15-27/h8-12,14-17,21-26,31,33-35,43H,13,18-20H2,1-7H3,(H,42,53)(H,44,50)(H,45,54)(H,46,51)(H,47,52)(H,48,56)(H,49,55)/t24?,25-,26+,31-,33-,34-,35+/m1/s1

inchikey

  • NZNSTOHSZZLSNP-XMILAPNPSA-N

mass

  • 772.948

monoisotopicmass

  • 772.42720

smiles

  • O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCC(N[C@@H](C(N[C@@H](C(N[C@H]1C(C2=CC=CC=C2)C)=O)C(C)C)=O)C)=O)CC=3C4=C(C=CC=C4)NC3)C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,6S,9R,12S,15R,18R)-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-12-(1-phenylethyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214362

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