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Concept information

Preferred term

انیاتین J3  

Type

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

charge

  • 0

formula

  • C32H55N3O9

inchi

  • InChI=1S/C32H55N3O9/c1-15-20(10)23-32(41)44-26(19(8)9)28(37)34(13)22(16(2)3)31(40)43-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)29(38)35(23)14/h16-26H,15H2,1-14H3/t20-,21-,22-,23-,24+,25+,26+/m0/s1

inchikey

  • PKIONGFDDBDWQO-WOAYRZOOSA-N

mass

  • 625.804

monoisotopicmass

  • 625.39383

smiles

  • O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1[C@H](CC)C)C)=O)C(C)C)=O)C)C)C(C)C)C(C)C)C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6R,9S,12R,15S,18R)-3-[(2S)-butan-2-yl]-4,9,10,16-tetramethyl-6,12,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198896

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