Gozetotide
(2S)-2-[[(1S)-1-carboxy-5-[6-[3-[3-[[2-[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]-4-hydroxyphenyl]propanoylamino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid
Molecular Identity
Gozetotide
(2S)-2-[[(1S)-1-carboxy-5-[6-[3-[3-[[2-[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]-4-hydroxyphenyl]propanoylamino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid
PubChem CID: 60143283
2D Structure
Properties
C44H62N6O17
Molecular Formula
947.00
Molecular Weight
g/mol
946.4171
Exact Mass
Da
-3.9
XLogP
Drug-like (Lipinski: < 5)
370
TPSA
May have limited oral absorption
12
H-Bond Donors
19
H-Bond Acceptors
1620
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)OIsomeric 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)OSynonyms(20)
PSMA-111366302-52-4Psma-hbed-CCGOZETOTIDE9AG41L3AOQ(3S,7S)-22-(3-(((2-((5-(2-Carboxyethyl)-2-hydroxybenzyl)(carboxymethyl)amino)ethyl)(carboxymethyl)amino)methyl)-4-hydroxyphenyl)-5,13,20-trioxo-4,6,12,19-tetraazadocosane-1,3,7-tricarboxylic acidRefChem:57167kit for the preparation of gallium Ga 68 gozetotideKit for the preparation of gallium Ga 68 gozetotide injectionUNII-9AG41L3AOQCHEMBL3578202(2S)-2-[[(1S)-1-carboxy-5-[6-[3-[3-[[2-[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]-4-hydroxyphenyl]propanoylamino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acidGallium-68 PSMAHBED-CC-PSMAMFCD29767877
Data from PubChem (NCBI)
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