Molecules/Ozarelix

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

C72H96ClN17O141459.10 g/molCID 25080293

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Molecular Identity

Ozarelix

PubChem CID: 25080293

2D Structure

Properties

C₇₂H₉₆ClN₁₇O₁₄

Molecular Formula

1459.10

Molecular Weight

g/mol

1457.7011

Exact Mass

2.5

XLogP

Drug-like (Lipinski: < 5)

489

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

2880

Complexity

SMILES

Canonical SMILES

SMILES: CCCCC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCCNC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N(C)C(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C

Isomeric SMILES

SMILES: CCCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CCCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C

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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Molecular Structure

Ozarelix

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Source: PubChem

Drug Network

Trials and conditions connected to Ozarelix

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