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Concept information

Preferred term

microginin fr4  

Type

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

Broader concept

charge

  • 0

formula

  • C38H55N5O10

inchi

  • InChI=1S/C38H55N5O10/c1-4-5-6-7-8-10-28(39-3)33(47)36(50)42-32(23(2)44)37(51)43-20-9-11-31(43)35(49)40-29(21-24-12-16-26(45)17-13-24)34(48)41-30(38(52)53)22-25-14-18-27(46)19-15-25/h12-19,23,28-33,39,44-47H,4-11,20-22H2,1-3H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)/t23-,28+,29-,30-,31-,32?,33-/m0/s1

inchikey

  • UJVLZLPEXZJNMA-BZQGRHKVSA-N

mass

  • 741.883

monoisotopicmass

  • 741.39489

smiles

  • O=C(N[C@H](C(=O)N[C@H](C(=O)O)CC1=CC=C(O)C=C1)CC2=CC=C(O)C=C2)[C@H]3N(C(=O)C(NC(=O)[C@@H](O)[C@H](NC)CCCCCCC)[C@@H](O)C)CCC3

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-2-[[(2S)-1-[(3S)-3-hydroxy-2-[[(2S,3R)-2-hydroxy-3-(methylamino)decanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213841

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