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Concept information

Preferred term

kahalalide y  

Type

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

Broader concept

charge

  • 0

formula

  • C46H65N7O10

inchi

  • InChI=1S/C46H65N7O10/c1-27(2)13-8-6-11-16-33-25-39(56)49-35(23-30-14-9-7-10-15-30)45(61)53-22-12-17-37(53)43(59)48-29(5)41(57)52-40(28(3)4)44(60)50-34(26-38(47)55)42(58)51-36(46(62)63-33)24-31-18-20-32(54)21-19-31/h7,9-10,14-15,18-21,27-29,33-37,40,54H,6,8,11-13,16-17,22-26H2,1-5H3,(H2,47,55)(H,48,59)(H,49,56)(H,50,60)(H,51,58)(H,52,57)/t29-,33?,34-,35-,36+,37+,40+/m1/s1

inchikey

  • LJNDDJVXTIZTOA-IBJPPFFWSA-N

mass

  • 876.065

monoisotopicmass

  • 875.47929

smiles

  • O=C1OC(CC(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CC3=CC=C(O)C=C3)=O)CC(=O)N)=O)C(C)C)=O)C)CCC2)CC4=CC=CC=C4)CCCCCC(C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(3R,10S,13R,16S,19R,22S)-3-benzyl-10-[(4-hydroxyphenyl)methyl]-19-methyl-7-(6-methylheptyl)-2,5,9,12,15,18,21-heptaoxo-16-propan-2-yl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-13-yl]acetamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222967

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