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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

microginin 91-c  

Type

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

Broader concept

charge

  • 0

formula

  • C37H61N5O8

inchi

  • InChI=1S/C37H61N5O8/c1-7-9-10-11-12-14-27(38)32(44)34(46)40-31(24(5)8-2)36(48)41(6)30(21-23(3)4)35(47)42-20-13-15-29(42)33(45)39-28(37(49)50)22-25-16-18-26(43)19-17-25/h16-19,23-24,27-32,43-44H,7-15,20-22,38H2,1-6H3,(H,39,45)(H,40,46)(H,49,50)/t24-,27+,28-,29-,30-,31-,32+/m0/s1

inchikey

  • ADNMWMDCUDFUHQ-GPRDHDTNSA-N

mass

  • 703.922

monoisotopicmass

  • 703.45201

smiles

  • O=C(N[C@H](C(=O)O)CC1=CC=C(O)C=C1)[C@H]2N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](O)[C@H](N)CCCCCCC)[C@H](CC)C)C)CC(C)C)CCC2

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-2-hydroxydecanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203961

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