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Concept information

Preferred term

لینگبیاوریدامید B  

Type

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

Broader concept

charge

  • 0

formula

  • C45H59N7O9

inchi

  • InChI=1S/C45H59N7O9/c1-5-28(2)38-42(57)47-35(24-21-30-19-22-33(53)23-20-30)43(58)52(4)29(3)39(54)48-36(26-31-14-8-6-9-15-31)40(55)46-25-13-12-18-34(41(56)51-38)49-45(61)50-37(44(59)60)27-32-16-10-7-11-17-32/h6-11,14-17,19-20,22-23,28-29,34-38,53H,5,12-13,18,21,24-27H2,1-4H3,(H,46,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H2,49,50,61)/t28-,29-,34+,35-,36-,37+,38-/m0/s1

inchikey

  • HLRSUXYDFOFRIS-TVMQHBNISA-N

mass

  • 842.007

monoisotopicmass

  • 841.43743

smiles

  • O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@H](C(N[C@H]1CCC2=CC=C(O)C=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@@H](C(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4)C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-12-[(2S)-butan-2-yl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200801

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