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Concept information

Preferred term

نانوچلین A  

Type

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

charge

  • 0

formula

  • C38H48N4O13

inchi

  • InChI=1S/C38H48N4O13/c1-54-35(47)29(17-9-11-23-41(52)33(45)21-19-27-13-5-3-6-14-27)39-31(43)25-38(51,37(49)50)26-32(44)40-30(36(48)55-2)18-10-12-24-42(53)34(46)22-20-28-15-7-4-8-16-28/h3-8,13-16,19-22,29-30,51-53H,9-12,17-18,23-26H2,1-2H3,(H,39,43)(H,40,44)(H,49,50)/b21-19+,22-20+/t29-,30-/m0/s1

inchikey

  • PLSKKAXSAYSCJS-HTPZWQEUSA-N

mass

  • 768.817

monoisotopicmass

  • 768.32179

smiles

  • O=C(N(O)CCCC[C@H](NC(=O)CC(O)(C(=O)O)CC(=O)N[C@H](C(=O)OC)CCCCN(O)C(=O)/C=C/C1=CC=CC=C1)C(=O)OC)/C=C/C2=CC=CC=C2

subset

  • 2_STAR

synonym EXACT

  • 2-hydroxy-4-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-2-[2-[[(2S)-6-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210788

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