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CHEBI:181186 - Cyclo[DL-Gly(tBu)-Unk-D-Leu-Leu]

ChEBI IDCHEBI:181186
ChEBI NameCyclo[DL-Gly(tBu)-Unk-D-Leu-Leu]
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H45N3O5
Net Charge0
Average Mass467.651
Monoisotopic Mass467.33592
SMILESCCCCC1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C(C)(C)C)C(=O)O1
InChIInChI=1S/C25H45N3O5/c1-9-10-11-17-14-20(29)26-18(12-15(2)3)22(30)27-19(13-16(4)5)23(31)28-21(24(32)33-17)25(6,7)8/h15-19,21H,9-14H2,1-8H3,(H,26,29)(H,27,30)(H,28,31)/t17?,18-,19+,21?/m1/s1
InChIKeyVYFBCKJPZMCFAW-LSNYBQGISA-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)
Cyclo[DL-Gly(tBu)-Unk-D-Leu-Leu] (CHEBI:181186) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(6S,9R)-13-butyl-3-tert-butyl-6,9-bis(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone