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CHEBI:209990 - Madurastatin D1

ChEBI IDCHEBI:209990
ChEBI NameMadurastatin D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39N7O9
Net Charge0
Average Mass617.660
Monoisotopic Mass617.28093
SMILESC[C@@H]1N(C)[C@H](CCCN(O)C(=O)CCNC(=O)CNC(=O)[C@@H]2COC(c3ccccc3O)=N2)C(=O)N1[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C28H39N7O9/c1-17-32(2)20(28(41)35(17)21-9-6-14-34(43)27(21)40)8-5-13-33(42)24(38)11-12-29-23(37)15-30-25(39)19-16-44-26(31-19)18-7-3-4-10-22(18)36/h3-4,7,10,17,19-21,36,42-43H,5-6,8-9,11-16H2,1-2H3,(H,29,37)(H,30,39)/t17-,19+,20-,21-/m1/s1
InChIKeyIJNYAEKIBWVLEZ-GFOJFJKKSA-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 D1 (CHEBI:209990) is a dipeptide (CHEBI:46761)
IUPAC Name 
(4S)-N-[2-[[3-[hydroxy-[3-[(2R,4R)-1-[(3R)-1-hydroxy-2-oxopiperidin-3-yl]-2,3-dimethyl-5-oxoimidazolidin-4-yl]propyl]amino]-3-oxopropyl]amino]-2-oxoethyl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide