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CHEBI:209984 - (-)-madurastatin C1

ChEBI IDCHEBI:209984
ChEBI Name(-)-madurastatin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37N7O9
Net Charge0
Average Mass591.622
Monoisotopic Mass591.26528
SMILESCN[C@H](CCCN(O)C(=O)CCNC(=O)CNC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)N[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C26H37N7O9/c1-27-17(24(38)30-18-8-5-13-33(41)26(18)39)7-4-12-32(40)22(36)10-11-28-21(35)14-29-23(37)19-15-42-25(31-19)16-6-2-3-9-20(16)34/h2-3,6,9,17-19,27,34,40-41H,4-5,7-8,10-15H2,1H3,(H,28,35)(H,29,37)(H,30,38)/t17-,18-,19+/m1/s1
InChIKeyRHFPNLFQGRPOBC-QRVBRYPASA-N
Species of MetaboliteComponentSourceComments
Actinomaduraspecies (ncbitaxon:1989) - PubMed (31380646)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(-)-madurastatin C1 (CHEBI:209984) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(4S)-N-[2-[[3-[hydroxy-[(4R)-5-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-4-(methylamino)-5-oxopentyl]amino]-3-oxopropyl]amino]-2-oxoethyl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide