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CHEBI:209996 - Madurastatin D2

ChEBI IDCHEBI:209996
ChEBI NameMadurastatin D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H41N7O9
Net Charge0
Average Mass631.687
Monoisotopic Mass631.29658
SMILESCN1[C@H](CCCN(O)C(=O)CCNC(=O)CNC(=O)[C@@H]2COC(c3ccccc3O)=N2)C(=O)N([C@@H]2CCCN(O)C2=O)C1(C)C
InChIInChI=1S/C29H41N7O9/c1-29(2)33(3)20(28(42)36(29)21-10-7-15-35(44)27(21)41)9-6-14-34(43)24(39)12-13-30-23(38)16-31-25(40)19-17-45-26(32-19)18-8-4-5-11-22(18)37/h4-5,8,11,19-21,37,43-44H,6-7,9-10,12-17H2,1-3H3,(H,30,38)(H,31,40)/t19-,20+,21+/m0/s1
InChIKeyJYFWTXBQPCKDEP-PWRODBHTSA-N
Species of MetaboliteComponentSourceComments
Actinomaduraspecies (ncbitaxon:1989) - PubMed (31380646)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Madurastatin D2 (CHEBI:209996) is a dipeptide (CHEBI:46761)
IUPAC Name 
(4S)-N-[2-[[3-[hydroxy-[3-[(4R)-1-[(3R)-1-hydroxy-2-oxopiperidin-3-yl]-2,2,3-trimethyl-5-oxoimidazolidin-4-yl]propyl]amino]-3-oxopropyl]amino]-2-oxoethyl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide