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CHEBI:224087 - Pepstatin B

ChEBI IDCHEBI:224087
ChEBI NamePepstatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H65N5O9
Net Charge0
Average Mass699.931
Monoisotopic Mass699.47823
SMILESCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C
InChIInChI=1S/C35H65N5O9/c1-11-12-13-14-28(43)39-31(21(6)7)35(49)40-32(22(8)9)34(48)38-24(15-19(2)3)26(41)17-29(44)36-23(10)33(47)37-25(16-20(4)5)27(42)18-30(45)46/h19-27,31-32,41-42H,11-18H2,1-10H3,(H,36,44)(H,37,47)(H,38,48)(H,39,43)(H,40,49)(H,45,46)/t23-,24-,25+,26-,27+,31-,32-/m0/s1
InChIKeyQTNFTTFYVXJGEA-NGBPREIYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4567545)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pepstatin B (CHEBI:224087) is a peptide (CHEBI:16670)
IUPAC Name 
(3R,4R)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methylheptanoic acid
Manual XrefsDatabases
78443172ChemSpider