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CHEBI:225735 - Nectriatide

Default Structure
ChEBI IDCHEBI:225735
ChEBI NameNectriatide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30N4O5
Net Charge0
Average Mass466.538
Monoisotopic Mass466.22162
SMILESCC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O
InChIInChI=1S/C25H30N4O5/c1-14(2)21-25(34)29(4)20(13-16-9-11-17(30)12-10-16)24(33)27-19-8-6-5-7-18(19)23(32)26-15(3)22(31)28-21/h5-12,14-15,20-21,30H,13H2,1-4H3,(H,26,32)(H,27,33)(H,28,31)/t15-,20-,21-/m0/s1
InChIKeyKYKNTIAQEZNAMR-JHVJFLLYSA-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)
Nectriatide (CHEBI:225735) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(4S,7S,10S)-4-[(4-hydroxyphenyl)methyl]-5,10-dimethyl-7-propan-2-yl-2,5,8,11-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-triene-3,6,9,12-tetrone
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128434953ChemSpider