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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > quinomycin j
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > quinomycin j
organooxygen compound > ester > lactone > cyclodepsipeptide > quinomycin j
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > quinomycin j
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > quinomycin j
... > 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 > quinomycin j
... > 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 > quinomycin j
... > 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 > quinomycin j

Preferred term

quinomycin j  

Type

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

Broader concept

charge

  • 0

formula

  • C55H72N12O13S2

inchi

  • InChI=1S/C55H72N12O13S2/c1-27(2)29(5)42-53(76)79-24-40(63-46(69)38-23-57-34-19-15-17-21-36(34)61-38)48(71)59-32(8)50(73)67(12)44-52(75)66(11)43(30(6)28(3)4)54(77)80-25-39(62-45(68)37-22-56-33-18-14-16-20-35(33)60-37)47(70)58-31(7)49(72)64(9)41(51(74)65(42)10)26-82(78)55(44)81-13/h14-23,27-32,39-44,55H,24-26H2,1-13H3,(H,58,70)(H,59,71)(H,62,68)(H,63,69)/t29-,30-,31-,32-,39+,40+,41-,42-,43-,44+,55?,82?/m0/s1

inchikey

  • CZIPFEYBDNNFQN-VAVLPFJMSA-N

mass

  • 1173.370

monoisotopicmass

  • 1172.47832

smiles

  • S1(=O)C(SC)[C@@H]2N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C3=NC=4C(=CC=CC4)N=C3)COC([C@@H](N(C([C@H](C1)N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C5=NC=6C(=CC=CC6)N=C5)COC([C@@H](N(C2=O)C)[C@H](C(C)C)C)=O)C)C)=O)C)[C@H](C(C)C)C)=O)C)C

subset

  • 2_STAR

synonym EXACT

  • N-[(1R,4S,7R,11S,14R,17S,20R,24S)-2,4,12,15,17,25-hexamethyl-11,24-bis[(2S)-3-methylbutan-2-yl]-27-methylsulanyl-3,6,10,13,16,19,23,26,28-nonaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28lambda4-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222309

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