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CHEBI:221400 - Cyanopeptolin 1025

ChEBI IDCHEBI:221400
ChEBI NameCyanopeptolin 1025
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H79N9O13
Net Charge0
Average Mass1026.243
Monoisotopic Mass1025.57973
SMILESCCC(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC2CCC(O)N(C2=O)C(CC(C)C)C(=O)N(C)C(Cc2ccc(OC)cc2)C(=O)NC(CC(C)C)C(=O)OC1C
InChIInChI=1S/C51H79N9O13/c1-11-41(62)59-22-12-13-37(59)46(66)53-33(18-20-40(52)61)44(64)57-43-30(8)73-51(71)36(24-28(4)5)56-47(67)38(26-31-14-16-32(72-10)17-15-31)58(9)50(70)39(25-29(6)7)60-42(63)21-19-34(49(60)69)54-45(65)35(23-27(2)3)55-48(43)68/h14-17,27-30,33-39,42-43,63H,11-13,18-26H2,1-10H3,(H2,52,61)(H,53,66)(H,54,65)(H,55,68)(H,56,67)(H,57,64)
InChIKeyVCGBQJUGWVTYEK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyanopeptolin 1025 (CHEBI:221400) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[21-hydroxy-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-2,8,15-tris(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[(1-propanoylpyrrolidine-2-carbonyl)amino]pentanediamide