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Concept information

Preferred term

سالینامید C  

Type

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

charge

  • 0

formula

  • C52H73N7O14

inchi

  • InChI=1S/C52H73N7O14/c1-12-29(5)19-24-39(61)53-26-40(62)72-27-37-52(70)73-33(9)43(57-46(64)31(7)45(63)28(3)4)50(68)55-41(30(6)13-2)48(66)58-44(35-20-22-36(71-11)23-21-35)51(69)59(10)38(25-34-17-15-14-16-18-34)47(65)56-42(32(8)60)49(67)54-37/h12,14-24,28,30-33,37-38,41-45,60,63H,13,25-27H2,1-11H3,(H,53,61)(H,54,67)(H,55,68)(H,56,65)(H,57,64)(H,58,66)/b24-19+,29-12+/t30-,31+,32+,33+,37-,38-,41+,42+,43-,44-,45+/m0/s1

inchikey

  • HVTYOEKGTBJUJS-LGQNIYRXSA-N

mass

  • 1020.191

monoisotopicmass

  • 1019.52155

smiles

  • O=C1O[C@@H]([C@H](NC(=O)[C@@H]([C@H](O)C(C)C)C)C(=O)N[C@@H](C(=O)N[C@@H](C2=CC=C(OC)C=C2)C(N([C@H](C(N[C@@H](C(N[C@H]1COC(=O)CNC(=O)/C=C/C(=C/C)/C)=O)[C@H](O)C)=O)CC3=CC=CC=C3)C)=O)[C@H](CC)C)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,6R,9S,12S,15R,18S,19R)-9-benzyl-15-[(2S)-butan-2-yl]-18-[[(2R,3R)-3-hydroxy-2,4-dimethylpentanoyl]amino]-6-[(1R)-1-hydroxyethyl]-12-(4-methoxyphenyl)-10,19-dimethyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-3-yl]methyl 2-[[(2E,4E)-4-methylhexa-2,4-dienoyl]amino]acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199365

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