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CHEBI:218477 - (-)-(R)-8-(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl-3-oxooctan-2-yl acetate

ChEBI IDCHEBI:218477
ChEBI Name(-)-(R)-8-(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl-3-oxooctan-2-yl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N4O7
Net Charge0
Average Mass570.687
Monoisotopic Mass570.30535
SMILESCC(=O)O[C@H](C)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O
InChIInChI=1S/C30H42N4O7/c1-19(41-20(2)35)25(36)16-10-6-9-14-22-26(37)33-30(3,4)29(40)32-23(18-21-12-7-5-8-13-21)28(39)34-17-11-15-24(34)27(38)31-22/h5,7-8,12-13,19,22-24H,6,9-11,14-18H2,1-4H3,(H,31,38)(H,32,40)(H,33,37)/t19-,22+,23+,24-/m1/s1
InChIKeyDGYUADDUGZTHSO-QLBRKBSLSA-N
Species of MetaboliteComponentSourceComments
Peniophoraspecies (ncbitaxon:1756134) - PubMed (11551555)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(-)-(R)-8-(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl-3-oxooctan-2-yl acetate (CHEBI:218477) is a oligopeptide (CHEBI:25676)
IUPAC Name 
[(2R)-8-[(3S,9S,12R)-3-benzyl-6,6-dimethyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]-3-oxooctan-2-yl] acetate
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