Synonyms: C4.6,S1-cyclo[N-(3-sulfanylpropanoyl)-D-tryptophyl-L-isoleucyl-L-alloisoleucyl-L-asparaginyl-L-2-aminobutanoyl-N-methyl-L-ornithinol] | FE 200 440 [2] | FE-200440
Compound class:
Peptide or derivative
Comment: Barusiban (FE 200440) is an oxytocin receptor antagonist [1-2,5]. It was developed by Ferring Pharmaceuticals as a tocolytic agent, to counteract oxytocin-induced myometrial contractions [4]. Chemically it is a synthetic cyclic hexapeptide containing five unnatural amino acids and only one D-amino acid.
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Peptide Sequence | |
WIXNXX | |
Ac(1)-D-Trp-Ile-aIle-Asn-Met(1)-N(Me)Orn-ol |
Chemical Modification | |
X1= alloisoleucine, X5= homocysteine and X6= ornithine |
Download 2D Structure | |
Canonical SMILES | Download |
Isomeric SMILES | Download |
InChI standard identifier | Download |
InChI standard key | Download |
Molecular structure representations generated using Open Babel