Molecules/Goserelin

Goserelin

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-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

C59H84N18O141269.40 g/molCID 5311128

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Molecular Identity

Goserelin

PubChem CID: 5311128

Goserelin is an organic molecular entity.

2D Structure

Properties

C₅₉H₈₄N₁₈O₁₄

Molecular Formula

1269.40

Molecular Weight

g/mol

1268.6414

Exact Mass

-1.5

XLogP

Drug-like (Lipinski: < 5)

496

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

2560

Complexity

SMILES

Canonical SMILES

SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6

Isomeric SMILES

SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

Synonyms(20)

goserelin65807-02-5Decapeptide IGoserelinaGoserelineGoserelinumICI-118630ICI 118630ICI 118,6300F65R8P09NDTXSID7048297ICI118630Acetate, GoserelinRefChem:57538DTXCID2028272

Data from PubChem (NCBI)

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Molecular Structure

Goserelin

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Source: PubChem

Drug Network

Trials and conditions connected to Goserelin

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