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Concept information

Preferred term

cyanopeptolin 997 a  

Type

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

Broader concept

charge

  • 0

formula

  • C49H75N9O13

inchi

  • InChI=1S/C49H75N9O13/c1-25(2)21-34-43(64)52-33-17-19-40(62)58(47(33)68)38(23-27(5)6)48(69)56(9)37(24-30-12-14-31(60)15-13-30)45(66)54-35(22-26(3)4)49(70)71-28(7)41(46(67)53-34)55-42(63)32(16-18-39(50)61)51-44(65)36-11-10-20-57(36)29(8)59/h12-15,25-28,32-38,40-41,60,62H,10-11,16-24H2,1-9H3,(H2,50,61)(H,51,65)(H,52,64)(H,53,67)(H,54,66)(H,55,63)

inchikey

  • ISFDOCSKWOKPKT-UHFFFAOYSA-N

mass

  • 998.189

monoisotopicmass

  • 997.54843

smiles

  • O=C1OC(C(NC(=O)C(NC(=O)C2N(C(=O)C)CCC2)CCC(=O)N)C(=O)NC(C(=O)NC3CCC(N(C(C(N(C(C(NC1CC(C)C)=O)CC4=CC=C(O)C=C4)C)=O)CC(C)C)C3=O)O)CC(C)C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[(1-acetylpyrrolidine-2-carbonyl)amino]-N-[21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2,8,15-tris(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]pentanediamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221414

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