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Concept information

Preferred term

WIN 64745  

Type

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

Broader concept

charge

  • 0

formula

  • C37H38N6O4

inchi

  • InChI=1S/C37H38N6O4/c1-20(2)16-26-32(46)42-28(30(44)38-26)18-36(22-12-6-8-14-24(22)40-34(36)42)37-19-29-31(45)39-27(17-21-10-4-3-5-11-21)33(47)43(29)35(37)41-25-15-9-7-13-23(25)37/h3-15,20,26-29,34-35,40-41H,16-19H2,1-2H3,(H,38,44)(H,39,45)/t26-,27-,28-,29-,34+,35+,36?,37?/m0/s1

inchikey

  • QQLUWDJRGUSAKT-PEFRYSBJSA-N

mass

  • 630.749

monoisotopicmass

  • 630.29545

smiles

  • O=C1N2[C@H]3NC=4C=CC=CC4C3(C56C7=C(C=CC=C7)N[C@@H]5N8C(=O)[C@H](CC(C)C)NC([C@@H]8C6)=O)C[C@H]2C(=O)N[C@H]1CC9=CC=CC=C9

subset

  • 2_STAR

synonym EXACT

  • (1R,4S,7S)-4-benzyl-9-[(1R,4S,7S)-4-(2-methylpropyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222823

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