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Concept information

Preferred term

paecilodepsipeptide b  

Type

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

Broader concept

charge

  • 0

formula

  • C40H49N5O10

inchi

  • InChI=1S/C40H49N5O10/c1-24(2)18-19-55-31-16-12-29(13-17-31)21-33(40(53)54)45-37(50)26(4)42-38(51)32(20-28-10-14-30(46)15-11-28)44-35(48)23-41-36(49)25(3)43-39(52)34(47)22-27-8-6-5-7-9-27/h5-18,25-26,32-34,46-47H,19-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,52)(H,44,48)(H,45,50)(H,53,54)/t25-,26+,32+,33+,34-/m0/s1

inchikey

  • BRRIQKRUEWKTLZ-ZIWQVPDVSA-N

mass

  • 759.857

monoisotopicmass

  • 759.34794

smiles

  • O=C(O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](O)CC1=CC=CC=C1)C)CC2=CC=C(O)C=C2)C)CC3=CC=C(OCC=C(C)C)C=C3

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[[(2R)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[2-[[(2S)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]-3-[4-(3-methylbut-2-enoxy)phenyl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198188

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