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CHEBI:80064 - Patellamide C

ChEBI IDCHEBI:80064
ChEBI NamePatellamide C
Stars
DownloadsMolfile
FormulaC37H46N8O6S2
Net Charge0
Average Mass762.959
Monoisotopic Mass762.29817
SMILES[H][C@]12N=C(O[C@@H]1C)[C@H](C(C)C)NC(=O)c1csc(n1)[C@@H](Cc1ccccc1)NC(=O)[C@@]1([H])N=C(O[C@@H]1C)[C@]([H])([C@@H](C)CC)NC(=O)c1csc(n1)[C@@H](C)NC2=O
InChIInChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18-,19+,20+,21+,23+,26-,27-,28-,29-/m0/s1
InChIKeyCFXBLGFMQUFLKS-FUEDQDKVSA-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)
Patellamide C (CHEBI:80064) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
C15735KEGG COMPOUND
C00028809KNApSAcK
Registry NumbersSources
CAS:81120-74-3KEGG COMPOUND