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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > aspergillicin d
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > aspergillicin d
organooxygen compound > ester > lactone > cyclodepsipeptide > aspergillicin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > aspergillicin d
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > aspergillicin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > cyclodepsipeptide > aspergillicin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > aspergillicin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > aspergillicin d

Preferred term

aspergillicin d  

Type

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

Broader concept

charge

  • 0

formula

  • C36H52N6O8

inchi

  • InChI=1S/C36H52N6O8/c1-7-21(4)29-35(48)42-18-12-16-27(42)34(47)41-17-11-15-26(41)32(45)38-25(19-24-13-9-8-10-14-24)31(44)39-28(20(2)3)36(49)50-22(5)30(33(46)40-29)37-23(6)43/h8-10,13-14,20-22,25-30H,7,11-12,15-19H2,1-6H3,(H,37,43)(H,38,45)(H,39,44)(H,40,46)/t21-,22+,25-,26-,27-,28-,29+,30-/m0/s1

inchikey

  • NRXZQMCJXXMPFH-QKUSIRIFSA-N

mass

  • 696.846

monoisotopicmass

  • 696.38466

smiles

  • O=C1O[C@@H]([C@H](NC(=O)C)C(=O)N[C@@H](C(=O)N2[C@@H](CCC2)C(N3[C@H](C(N[C@H](C(N[C@H]1C(C)C)=O)CC4=CC=CC=C4)=O)CCC3)=O)[C@H](CC)C)C

subset

  • 2_STAR

synonym EXACT

  • N-[(3S,9R,12S,13R,16S,19S,22S)-19-benzyl-9-[(2S)-butan-2-yl]-13-methyl-2,8,11,15,18,21-hexaoxo-16-propan-2-yl-14-oxa-1,7,10,17,20-pentazatricyclo[20.3.0.03,7]pentacosan-12-yl]acetamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219936

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