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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > cyclic peptide > nw-g05
organooxygen compound > carboxamide > peptide > cyclic peptide > nw-g05
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > cyclic peptide > nw-g05
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > cyclic peptide > nw-g05
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > cyclic peptide > nw-g05

Preferred term

nw-g05  

Type

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

Broader concept

charge

  • 0

formula

  • C34H47ClN10O7

inchi

  • InChI=1S/C34H47ClN10O7/c1-17(2)26-32(51)45-24(9-6-14-38-45)31(50)43-22(7-4-12-36-43)27(46)39-18(3)29(48)44-23(8-5-13-37-44)30(49)42-25(28(47)41-26)16-34(52)20-11-10-19(35)15-21(20)40-33(34)42/h10-11,15,17-18,22-26,33,36-38,40,52H,4-9,12-14,16H2,1-3H3,(H,39,46)(H,41,47)/t18-,22+,23+,24-,25-,26+,33-,34+/m0/s1

inchikey

  • NQBSPMKAIGEJBH-YMEHRBBISA-N

mass

  • 743.260

monoisotopicmass

  • 742.33177

smiles

  • ClC1=CC=2N[C@H]3N4C(=O)[C@@H]5N(NCCC5)C(=O)[C@@H](NC(=O)[C@@H]6N(NCCC6)C([C@H]7N(C([C@H](NC([C@@H]4C[C@]3(C2C=C1)O)=O)C(C)C)=O)NCCC7)=O)C

subset

  • 2_STAR

synonym EXACT

  • (3R,10S,13R,20S,27R,30S,32R,40S)-36-chloro-32-hydroxy-10-methyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-33(38),34,36-triene-2,9,12,19,26,29-hexone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218949

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