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CHEBI:234125 - FE201874

ChEBI IDCHEBI:234125
ChEBI NameFE201874
Stars
DefinitionA synthetic nonapeptide comprising cysteinyl, phenylalanyl, isoleucyl, homoglutaminyl, asparaginyl, cysteinyl, prolyl, ornithyl, and glycinamide residues in sequence, with a disulfide bridge joining the two cysteine residues. It is a selective high affinity rat V1A vasopressin receptor agonist.
Last Modified25 April 2025
DownloadsMolfile
FormulaC43H67N13O11S2
Net Charge0
Average Mass1006.223
Monoisotopic Mass1005.45244
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O
InChIInChI=1S/C43H67N13O11S2/c1-3-23(2)35-42(66)51-27(12-7-15-32(46)57)38(62)53-29(19-33(47)58)39(63)54-30(22-69-68-21-25(45)36(60)52-28(40(64)55-35)18-24-10-5-4-6-11-24)43(67)56-17-9-14-31(56)41(65)50-26(13-8-16-44)37(61)49-20-34(48)59/h4-6,10-11,23,25-31,35H,3,7-9,12-22,44-45H2,1-2H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,65)(H,51,66)(H,52,60)(H,53,62)(H,54,63)(H,55,64)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
InChIKeyUFXWPXXCMCHPHB-GHDRINTISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
vasopressin receptor agonist  Any drug which binds to vasopressin receptors and triggers a response.
Applications:
vasopressin receptor agonist  Any drug which binds to vasopressin receptors and triggers a response.
vasoconstrictor agent  Drug used to cause constriction of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
FE201874 (CHEBI:234125) has role vasoconstrictor agent (CHEBI:50514)
FE201874 (CHEBI:234125) has role vasopressin receptor agonist (CHEBI:59727)
FE201874 (CHEBI:234125) is a heterodetic cyclic peptide (CHEBI:24533)
IUPAC Name 
1-({(4R,7S,10S,13S,16S,19R)-19-amino-10-(4-amino-4-oxobutyl)-7-(2-amino-2-oxoethyl)-16-benzyl-13-[(2S)-butan-2-yl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-L-prolyl-L-ornithylglycinamide
Synonyms  Source
FE 201874ChEBI
FE-201874ChEBI
H-Cys(1)-Phe-Ile-hGln-Asn-Cys(1)-Pro-Orn-Gly-NH2ChEBI
Citations