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CHEBI:221406 - Cyanopeptolin 1011

ChEBI IDCHEBI:221406
ChEBI NameCyanopeptolin 1011
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H77N9O13
Net Charge0
Average Mass1012.216
Monoisotopic Mass1011.56408
SMILESCOc1ccc(CC2C(=O)NC(CC(C)C)C(=O)OC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C3CCCN3C(C)=O)C(=O)NC(CC(C)C)C(=O)NC3CCC(O)N(C3=O)C(CC(C)C)C(=O)N2C)cc1
InChIInChI=1S/C50H77N9O13/c1-26(2)22-35-44(64)53-34-18-20-41(62)59(48(34)68)39(24-28(5)6)49(69)57(9)38(25-31-13-15-32(71-10)16-14-31)46(66)55-36(23-27(3)4)50(70)72-29(7)42(47(67)54-35)56-43(63)33(17-19-40(51)61)52-45(65)37-12-11-21-58(37)30(8)60/h13-16,26-29,33-39,41-42,62H,11-12,17-25H2,1-10H3,(H2,51,61)(H,52,65)(H,53,64)(H,54,67)(H,55,66)(H,56,63)
InChIKeyBSDLLWKMEPXEAP-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 1011 (CHEBI:221406) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[(1-acetylpyrrolidine-2-carbonyl)amino]-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]pentanediamide