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CHEBI:231130 - 5-Azanonane deriv.

ChEBI IDCHEBI:231130
ChEBI Name5-Azanonane deriv.
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H49N5O7
Net Charge0
Average Mass579.739
Monoisotopic Mass579.36320
SMILESCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCC(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)C)C(C)C
InChIInChI=1S/C29H49N5O7/c1-18(2)14-15-34(33-27(37)25(20(5)6)32-29(39)41-8)17-23(35)22(16-21-12-10-9-11-13-21)30-26(36)24(19(3)4)31-28(38)40-7/h9-13,18-20,22-25,35H,14-17H2,1-8H3,(H,30,36)(H,31,38)(H,32,39)(H,33,37)/t22-,23-,24-,25-/m0/s1
InChIKeyGHHGVZYSDDFVCE-QORCZRPOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-Azanonane deriv. (CHEBI:231130) is a benzenes (CHEBI:22712)
5-Azanonane deriv. (CHEBI:231130) is a organic amino compound (CHEBI:50047)
IUPAC Name 
methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-(3-methylbutyl)amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
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