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CHEBI:224082 - Pepstatin C

ChEBI IDCHEBI:224082
ChEBI NamePepstatin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H65N5O9
Net Charge0
Average Mass699.931
Monoisotopic Mass699.47823
SMILESCC(C)CCC(=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/c1-18(2)12-13-28(43)39-31(21(7)8)35(49)40-32(22(9)10)34(48)38-24(14-19(3)4)26(41)16-29(44)36-23(11)33(47)37-25(15-20(5)6)27(42)17-30(45)46/h18-27,31-32,41-42H,12-17H2,1-11H3,(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-/m1/s1
InChIKeyJOKUGRFMJJOCQE-ONDCUHTLSA-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 C (CHEBI:224082) is a peptide (CHEBI:16670)
IUPAC Name 
(3S,4R)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2R)-3-methyl-2-[[(2R)-3-methyl-2-(4-methylpentanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
Manual XrefsDatabases
78443171ChemSpider