CHEBI:222125 - Argyrin B

ChEBI IDCHEBI:222125
ChEBI NameArgyrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H46N10O8S
Net Charge0
Average Mass838.948
Monoisotopic Mass838.32208
SMILESC=C1NC(=O)[C@@H](CC)NC(=O)CNC(=O)[C@H](Cc2cnc3cccc(OC)c23)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)c2csc(n2)[C@@H](C)NC(=O)CN(C)C1=O
InChIInChI=1S/C41H46N10O8S/c1-6-26-37(55)46-22(3)41(58)51(4)19-34(53)45-21(2)40-50-31(20-60-40)39(57)49-30(14-23-16-42-27-11-8-7-10-25(23)27)38(56)48-29(36(54)44-18-33(52)47-26)15-24-17-43-28-12-9-13-32(59-5)35(24)28/h7-13,16-17,20-21,26,29-30,42-43H,3,6,14-15,18-19H2,1-2,4-5H3,(H,44,54)(H,45,53)(H,46,55)(H,47,52)(H,48,56)(H,49,57)/t21-,26-,29+,30+/m1/s1
InChIKeyOVJDNZFLEREPKG-VPMCBBNJSA-N
Species of MetaboliteComponentSourceComments
Archangium gephyra (ncbitaxon:48) - PubMed (12195959)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Argyrin B (CHEBI:222125) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(4S,7S,13R,22R)-13-ethyl-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
8116406ChemSpider
1I7PDBeChem