Ozarelix
(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-(carbamoylamino)hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular Identity
Ozarelix
(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-(carbamoylamino)hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
PubChem CID: 25080293
2D Structure
Properties
C72H96ClN17O14
Molecular Formula
1459.10
Molecular Weight
g/mol
1457.7011
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
489
TPSA
May have limited oral absorption
15
H-Bond Donors
16
H-Bond Acceptors
2880
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ozarelix295350-45-7Q1IF8M2YL3D 63153DTXSID60183722D-63153D-63 153Ac-D-Nal(2)-D-Phe(4Cl)-D-Pal(3)-Ser-NMe-Tyr-D-Hcit-Nle-Arg-Pro-D-Ala-NH2ozarelixumRefChem:169196LHRH antagonist SPI-153DTXCID00106213SPI-153D63153D63 153
Data from PubChem (NCBI)
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Drug Network
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