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Concept information

Preferred term

TTT 3002  

Type

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

charge

  • 0

formula

  • C27H23N5O3

inchi

  • InChI=1S/C27H23N5O3/c1-26-27(28,25(34)29-2)11-18(35-26)31-16-9-5-3-7-13(16)20-21-15(12-30-24(21)33)19-14-8-4-6-10-17(14)32(26)23(19)22(20)31/h3-10,18H,11-12,28H2,1-2H3,(H,29,34)(H,30,33)/t18-,26+,27-/m0/s1

inchikey

  • DCAYZGCTSXLIHO-FYCNXDEQSA-N

mass

  • 465.504

monoisotopicmass

  • 465.18009

smiles

  • N12C=3C=4N(C=5C=CC=CC5C4C6=C(C3C7=C1C=CC=C7)C(NC6)=O)[C@@]8(O[C@]2(C[C@]8(N)C(=O)NC)[H])C

subset

  • 3_STAR

synonym EXACT

  • (5R,6R,8S)-6-amino-N,5-dimethyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:88219

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