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CHEBI:209997 - Izenamide B

ChEBI IDCHEBI:209997
ChEBI NameIzenamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H71N5O11
Net Charge0
Average Mass846.076
Monoisotopic Mass845.51501
SMILESCC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C44H71N5O11/c1-12-27(7)36(47-35(51)24-34(50)31(22-25(3)4)46-40(54)38(28(8)13-2)60-44(58)37(52)26(5)6)39(53)45-29(9)41(55)48(10)33(23-30-18-15-14-16-19-30)42(56)49-21-17-20-32(49)43(57)59-11/h14-16,18-19,25-29,31-34,36-38,50,52H,12-13,17,20-24H2,1-11H3,(H,45,53)(H,46,54)(H,47,51)/t27-,28-,29-,31-,32-,33+,34-,36-,37-,38+/m0/s1
InChIKeyXLJBQXZXIWSYHO-FSWQITBWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Izenamide B (CHEBI:209997) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(3S,4S)-3-hydroxy-4-[[(2R,3S)-2-[(2S)-2-hydroxy-3-methylbutanoyl]oxy-3-methylpentanoyl]amino]-6-methylheptanoyl]amino]-3-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Manual XrefsDatabases
71048568ChemSpider