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CHEBI:207619 - Cotteslosin C

Default Structure
ChEBI IDCHEBI:207619
ChEBI NameCotteslosin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H45N5O6
Net Charge0
Average Mass619.763
Monoisotopic Mass619.33698
SMILESCC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C34H45N5O6/c1-20(2)28-32(43)37-29(21(3)4)34(45)38(5)27(19-22-10-7-6-8-11-22)31(42)35-25(18-23-13-15-24(40)16-14-23)33(44)39-17-9-12-26(39)30(41)36-28/h6-8,10-11,13-16,20-21,25-29,40H,9,12,17-19H2,1-5H3,(H,35,42)(H,36,41)(H,37,43)/t25-,26+,27-,28-,29-/m0/s1
InChIKeyGZMWXXZDEDTKFD-YFXPIYGVSA-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)
Cotteslosin C (CHEBI:207619) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,9S,12S,15R)-6-benzyl-3-[(4-hydroxyphenyl)methyl]-7-methyl-9,12-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
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