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Concept information

Preferred term

JG002CPB  

Type

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

Broader concept

charge

  • 0

formula

  • C32H41N5O6

inchi

  • InChI=1S/C32H41N5O6/c1-19(2)27-30(41)33-20(3)31(42)36(4)26(18-21-9-6-5-7-10-21)29(40)34-24(17-22-12-14-23(38)15-13-22)32(43)37-16-8-11-25(37)28(39)35-27/h5-7,9-10,12-15,19-20,24-27,38H,8,11,16-18H2,1-4H3,(H,33,41)(H,34,40)(H,35,39)/t20-,24-,25-,26-,27-/m0/s1

inchikey

  • UEGYUOKYESNXMM-KKASSDGMSA-N

mass

  • 591.709

monoisotopicmass

  • 591.30568

smiles

  • O=C1N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(N[C@H](C(N[C@H]1C)=O)C(C)C)=O)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6S,9S,12S,15S)-6-benzyl-3-[(4-hydroxyphenyl)methyl]-7,9-dimethyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208762

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