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CHEBI:176211 - Metabolite M6

Default Structure
ChEBI IDCHEBI:176211
ChEBI NameMetabolite M6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N4O4
Net Charge0
Average Mass522.690
Monoisotopic Mass522.32061
SMILESCC(C)(C)NC(=O)[C@H]1CNCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C30H42N4O4/c1-30(2,3)33-29(38)25-18-31-13-14-34(25)19-23(35)16-22(15-20-9-5-4-6-10-20)28(37)32-27-24-12-8-7-11-21(24)17-26(27)36/h4-12,22-23,25-27,31,35-36H,13-19H2,1-3H3,(H,32,37)(H,33,38)/t22-,23+,25-,26+,27-/m1/s1
InChIKeyMKMGKCALCCOODL-GVPWJHIJSA-N
ChEBI Ontology
Outgoing Relation(s)
Metabolite M6 (CHEBI:176211) is a indanes (CHEBI:46940)
IUPAC Name 
(2R)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide
Manual XrefsDatabases
35031833ChemSpider
HMDB0061034HMDB