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CHEBI:213468 - Banyascyclamide C

ChEBI IDCHEBI:213468
ChEBI NameBanyascyclamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28N6O5S2
Net Charge0
Average Mass556.670
Monoisotopic Mass556.15626
SMILESCC1NC(=O)c2csc(n2)C(C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2csc1n2
InChIInChI=1S/C25H28N6O5S2/c1-12-24-30-18(11-38-24)22(35)28-16(9-15-7-5-4-6-8-15)20(33)31-19(14(3)32)23(36)27-13(2)25-29-17(10-37-25)21(34)26-12/h4-8,10-14,16,19,32H,9H2,1-3H3,(H,26,34)(H,27,36)(H,28,35)(H,31,33)/t12?,13?,14-,16+,19+/m1/s1
InChIKeyARCFFCLBNNIVPM-FFMCJANTSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(02)01326-1)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Banyascyclamide C (CHEBI:213468) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(11S,14S)-11-benzyl-14-[(1R)-1-hydroxyethyl]-4,17-dimethyl-6,19-dithia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
Manual XrefsDatabases
78438567ChemSpider