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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > micropeptin hu895b
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > micropeptin hu895b
organooxygen compound > ester > lactone > cyclodepsipeptide > micropeptin hu895b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > micropeptin hu895b
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > micropeptin hu895b
... > 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 > micropeptin hu895b
... > 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 > micropeptin hu895b
... > 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 > micropeptin hu895b

Preferred term

micropeptin hu895b  

Type

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

Broader concept

charge

  • 0

formula

  • C40H62ClN9O12

inchi

  • InChI=1S/C40H62ClN9O12/c1-7-19(3)30-39(61)62-21(5)31(48-35(57)28(53)18-51)36(58)45-24(10-9-15-44-40(42)43)33(55)46-25-12-14-29(54)50(37(25)59)32(20(4)8-2)38(60)49(6)26(34(56)47-30)17-22-11-13-27(52)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-54H,7-10,12,14-15,17-18H2,1-6H3,(H,45,58)(H,46,55)(H,47,56)(H,48,57)(H4,42,43,44)/t19-,20-,21+,24-,25-,26-,28+,29+,30-,31-,32-/m0/s1

inchikey

  • OAGGBVOJAIWXLZ-HWXQPLKUSA-N

mass

  • 896.440

monoisotopicmass

  • 895.42065

smiles

  • ClC1=C(O)C=CC(=C1)C[C@@H]2N(C(=O)[C@@H](N3C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC([C@H]([C@H](OC([C@@H](NC2=O)[C@H](CC)C)=O)C)NC(=O)[C@H](O)CO)=O)CC[C@H]3O)[C@H](CC)C)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-bis[(2S)-butan-2-yl]-5-[(3-chloro-4-hydroxyphenyl)methyl]-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2,3-dihydroxypropanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214617

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