Gozetotide alf-18
aluminum;2-[[5-[3-[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]amino]-3-oxopropyl]-2-hydroxyphenyl]methyl-[2-[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl-(carboxylatomethyl)amino]ethyl]amino]acetate;fluorine-18(1-)
Molecular Identity
Gozetotide alf-18
aluminum;2-[[5-[3-[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]amino]-3-oxopropyl]-2-hydroxyphenyl]methyl-[2-[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl-(carboxylatomethyl)amino]ethyl]amino]acetate;fluorine-18(1-)
PubChem CID: 139593469
2D Structure
Properties
C44H60AlFN6O17
Molecular Formula
990.00
Molecular Weight
g/mol
989.3840
Exact Mass
Da
376
TPSA
May have limited oral absorption
10
H-Bond Donors
20
H-Bond Acceptors
1610
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1CCC(=O)NCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)CN(CCN(CC2=C(C=CC(=C2)CCC(=O)O)O)CC(=O)[O-])CC(=O)[O-])O.[F-].[Al+3]Isomeric SMILES
SMILES: C1=CC(=C(C=C1CCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CN(CCN(CC2=C(C=CC(=C2)CCC(=O)O)O)CC(=O)[O-])CC(=O)[O-])O.[18F-].[Al+3]Synonyms(10)
Gozetotide alf-18(al18f)psma-hbed18f-psmaPsma-hbed-cc alf-18Al(18f)psma-1118f-psma-11J1W7SQ7GC4CHEMBL4650355SCHEMBL29354394ALUMINUM N-(5-(2-CARBOXYETHYL)-2-HYDROXYBENZYL)-N-(2-((CARBOXYLATOMETHYL)(2-HYDROXY-5-((3S,7S)-1,3,7-TRICARBOXY-5,13,20-TRIOXO-4,6,12,19-TETRAAZADOCOSAN-22-YL)BENZYL)AMINO)ETHYL)GLYCINATE FLUORIDE-28F
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gozetotide alf-18
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