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Concept information

Preferred term

سیلندروسیکلین A  

Type

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

Broader concept

charge

  • 0

formula

  • C49H89N9O9

inchi

  • InChI=1S/C49H89N9O9/c1-20-31(12)40-49(67)57(18)39(25-30(10)11)44(62)51-33(14)42(60)53-35(21-26(2)3)47(65)55(16)37(23-28(6)7)43(61)50-32(13)41(59)54-36(22-27(4)5)48(66)56(17)38(24-29(8)9)45(63)52-34(15)46(64)58(40)19/h26-40H,20-25H2,1-19H3,(H,50,61)(H,51,62)(H,52,63)(H,53,60)(H,54,59)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1

inchikey

  • HHRMCEGCINMIBN-QMAXXTOWSA-N

mass

  • 948.305

monoisotopicmass

  • 947.67833

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3S,6S,9S,12S,15S,18S,21S,24S,27S)-3-[(2S)-butan-2-yl]-1,4,6,10,15,19,24-heptamethyl-9,12,18,21,27-pentakis(2-methylpropyl)-1,4,7,10,13,16,19,22,25-nonazacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216186

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