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Concept information

Preferred term

میکروپپتین LH925  

Type

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

charge

  • 0

formula

  • C42H67N7O14S

inchi

  • InChI=1S/C42H67N7O14S/c1-9-24(3)33-42(58)63-26(5)34(46-38(54)31(50)23-62-64(59,60)61)39(55)43-28(18-14-15-21-47(6)7)36(52)44-29-19-20-32(51)49(40(29)56)35(25(4)10-2)41(57)48(8)30(37(53)45-33)22-27-16-12-11-13-17-27/h11-13,16-17,24-26,28-35,50-51H,9-10,14-15,18-23H2,1-8H3,(H,43,55)(H,44,52)(H,45,53)(H,46,54)(H,59,60,61)/t24-,25-,26+,28-,29-,30-,31?,32+,33-,34-,35-/m0/s1

inchikey

  • HPIIIDVGWCXNRX-QGMUOMCCSA-N

mass

  • 926.090

monoisotopicmass

  • 925.44667

smiles

  • S(=O)(=O)(OCC(O)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N([C@@H]([C@H](CC)C)C(N([C@H](C(N[C@H](C(O[C@@H]1C)=O)[C@H](CC)C)=O)CC3=CC=CC=C3)C)=O)[C@H](O)CC2)CCCCN(C)C)O

subset

  • 2_STAR

synonym EXACT

  • [3-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-15-[4-(dimethylamino)butyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-hydroxy-3-oxopropyl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203889

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