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CHEBI:214415 - Chlamydocin

ChEBI IDCHEBI:214415
ChEBI NameChlamydocin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38N4O6
Net Charge0
Average Mass526.634
Monoisotopic Mass526.27913
SMILESCC1(C)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C28H38N4O6/c1-28(2)27(37)30-20(16-18-10-5-3-6-11-18)26(36)32-15-9-13-21(32)25(35)29-19(24(34)31-28)12-7-4-8-14-22(33)23-17-38-23/h3,5-6,10-11,19-21,23H,4,7-9,12-17H2,1-2H3,(H,29,35)(H,30,37)(H,31,34)/t19-,20-,21+,23?/m0/s1
InChIKeySGYJGGKDGBXCNY-ZDIDWYTNSA-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)
Chlamydocin (CHEBI:214415) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,9S,12R)-3-benzyl-6,6-dimethyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
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