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Concept information

Preferred term

آنارمایسین A  

Type

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

charge

  • 0

formula

  • C36H50N4O6

inchi

  • InChI=1S/C36H50N4O6/c1-6-13-27-22-32(41)37-28(18-23(2)3)33(42)39-30(20-25-14-9-7-10-15-25)35(44)38-29(19-24(4)5)34(43)40-31(36(45)46-27)21-26-16-11-8-12-17-26/h7-12,14-17,23-24,27-31H,6,13,18-22H2,1-5H3,(H,37,41)(H,38,44)(H,39,42)(H,40,43)/t27-,28+,29+,30-,31+/m1/s1

inchikey

  • NATXEXVBDCHDQS-NBCLCUQJSA-N

mass

  • 634.818

monoisotopicmass

  • 634.37304

smiles

  • O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(N[C@H](C(N[C@H]1CC2=CC=CC=C2)=O)CC(C)C)=O)CC3=CC=CC=C3)CC(C)C)CCC

subset

  • 2_STAR

synonym EXACT

  • (3S,6S,9R,12S,16R)-3,9-dibenzyl-6,12-bis(2-methylpropyl)-16-propyl-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202094

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