histrelin
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(1-benzylimidazol-4-yl)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular Identity
histrelin
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(1-benzylimidazol-4-yl)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID: 25077993
Histrelin Acetate can cause developmental toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C66H86N18O12
Molecular Formula
1323.50
Molecular Weight
g/mol
1322.6673
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
449
TPSA
May have limited oral absorption
15
H-Bond Donors
15
H-Bond Acceptors
2660
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
histrelin76712-82-8HistrelinaHistrelineHistrelinumORF 17070RWJ 17070ORF-17070H50H3S3W74RWJ-17070((ImBl)-D-His(sub 6),Pro(sub 9)-NEt)LHRHORF 17070RWJ 17070CHEBI:5739DTXSID502275435-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to histrelin
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