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Concept information

Preferred term

Wbeta2217  

Type

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

Broader concept

charge

  • 0

formula

  • C25H38N4O5

inchi

  • InChI=1S/C25H38N4O5/c1-13(2)19-23(32)28-20(14(3)4)24(33)29-21(15(5)16(6)30)25(34)26-18(22(31)27-19)12-17-10-8-7-9-11-17/h7-11,13-16,18-21,30H,12H2,1-6H3,(H,26,34)(H,27,31)(H,28,32)(H,29,33)/t15-,16-,18+,19+,20+,21+/m1/s1

inchikey

  • CXMBFUMTPNXCMT-HDHGSYJOSA-N

mass

  • 474.602

monoisotopicmass

  • 474.28422

smiles

  • O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H]1[C@@H]([C@H](O)C)C)=O)C(C)C)C(C)C)CC2=CC=CC=C2

subset

  • 2_STAR

synonym EXACT

  • (3S,6S,9S,12S)-3-benzyl-6-[(2S,3R)-3-hydroxybutan-2-yl]-9,12-di(propan-2-yl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226352

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