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Concept information

Preferred term

لارگاماید A  

Type

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

charge

  • 0

formula

  • C41H59N7O12

inchi

  • InChI=1S/C41H59N7O12/c1-10-27-36(54)44-28(15-16-32(51)52)37(55)46-30(17-20(2)3)41(59)60-24(9)34(40(58)42-23(8)35(53)43-27)48-38(56)29(19-25-11-13-26(49)14-12-25)45-39(57)33(22(6)7)47-31(50)18-21(4)5/h10-14,18,20,22-24,28-30,33-34,49H,15-17,19H2,1-9H3,(H,42,58)(H,43,53)(H,44,54)(H,45,57)(H,46,55)(H,47,50)(H,48,56)(H,51,52)/b27-10-/t23-,24+,28+,29-,30-,33-,34-/m0/s1

inchikey

  • HSCXMUJDRPVQBX-JCYRPJTLSA-N

mass

  • 841.960

monoisotopicmass

  • 841.42217

smiles

  • O=C/1N[C@@H](C(=O)N[C@H](C(=O)O[C@H](C)[C@@H](C(N[C@H](C(N/C1=C/C)=O)C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C=C(C)C)C(C)C)CC2=CC=C(O)C=C2)CC(C)C)CCC(=O)O

subset

  • 2_STAR

synonym EXACT

  • 3-[(3S,6R,9Z,12S,15S,16R)-9-ethylidene-15-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-(3-methylbut-2-enoylamino)butanoyl]amino]propanoyl]amino]-12,16-dimethyl-3-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-6-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199256

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