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CHEBI:227162 - (3R,6R,9S,12R,15R)-3-(1H-indol-3-ylmethyl)-15-(2-methylpropyl)-6,9,12-tri(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclodocosane-2,5,8,11,14,17,20-heptone

ChEBI IDCHEBI:227162
ChEBI Name(3R,6R,9S,12R,15R)-3-(1H-indol-3-ylmethyl)-15-(2-methylpropyl)-6,9,12-tri(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclodocosane-2,5,8,11,14,17,20-heptone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56N8O7
Net Charge0
Average Mass724.904
Monoisotopic Mass724.42720
SMILESCC(C)C[C@H]1NC(=O)CNC(=O)CCNC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C37H56N8O7/c1-19(2)15-26-34(49)43-31(21(5)6)36(51)45-32(22(7)8)37(52)44-30(20(3)4)35(50)42-27(16-23-17-39-25-12-10-9-11-24(23)25)33(48)38-14-13-28(46)40-18-29(47)41-26/h9-12,17,19-22,26-27,30-32,39H,13-16,18H2,1-8H3,(H,38,48)(H,40,46)(H,41,47)(H,42,50)(H,43,49)(H,44,52)(H,45,51)/t26-,27-,30-,31-,32+/m1/s1
InChIKeyRRNVLHPABYDFDH-WFNWFSMGSA-N
Species of MetaboliteComponentSourceComments
Clonostachys rosea (ncbitaxon:29856) - PubMed (31324567)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(3R,6R,9S,12R,15R)-3-(1H-indol-3-ylmethyl)-15-(2-methylpropyl)-6,9,12-tri(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclodocosane-2,5,8,11,14,17,20-heptone (CHEBI:227162) is a peptide (CHEBI:16670)
IUPAC Name 
(3R,6R,9S,12R,15R)-3-(1H-indol-3-ylmethyl)-15-(2-methylpropyl)-6,9,12-tri(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclodocosane-2,5,8,11,14,17,20-heptone