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Concept information

Preferred term

Phototemtide D  

Type

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

charge

  • 0

formula

  • C35H55N5O8

inchi

  • InChI=1S/C35H55N5O8/c1-7-9-10-14-17-25-19-27(42)36-20-28(43)38-29(21(3)4)33(45)37-26(18-24-15-12-11-13-16-24)32(44)40-31(23(6)41)34(46)39-30(22(5)8-2)35(47)48-25/h11-13,15-16,21-23,25-26,29-31,41H,7-10,14,17-20H2,1-6H3,(H,36,42)(H,37,45)(H,38,43)(H,39,46)(H,40,44)/t22-,23+,25+,26+,29-,30-,31-/m0/s1

inchikey

  • SGNUCAXHUKLAMR-ICYUVRCSSA-N

mass

  • 673.852

monoisotopicmass

  • 673.40506

smiles

  • O=C1O[C@@H](CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1[C@H](CC)C)=O)[C@H](O)C)=O)CC2=CC=CC=C2)=O)CCCCCC

subset

  • 2_STAR

synonym EXACT

  • (3S,6S,9R,12S,19R)-9-benzyl-3-[(2S)-butan-2-yl]-19-hexyl-6-[(1R)-1-hydroxyethyl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227122

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