68Ga-Psma-617
2-[4-[2-[[4-[[(2S)-1-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]cyclohexyl]methylamino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
Molecular Identity
68Ga-Psma-617
2-[4-[2-[[4-[[(2S)-1-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]cyclohexyl]methylamino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
PubChem CID: 135390844
2D Structure
Properties
C49H68GaN9O16
Molecular Formula
1107.00
Molecular Weight
g/mol
1106.4064
Exact Mass
Da
374
TPSA
May have limited oral absorption
8
H-Bond Donors
20
H-Bond Acceptors
1860
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
68Ga-Psma-617PSMA-617 Ga-687P5C02S4X8UNII-7P5C02S4X82247839-19-4Gallate(3-)-68Ga, (N6-(N-((trans-4-(((2-(4,7,10-tris((carboxy-kappaO)methyl)-1,4,7,10-tetraazacyclododec-1-yl-kappaN1,kappaN4,kappaN7,kn10)acetyl-kappaO)amino)methyl)cyclohexyl)carbonyl)-3-(2-naphthalenyl)-L-alanyl)-N2-((((1S)-1,3-dicarboxypropSCHEMBL29382478Vipivotide tetraxetan gallium ga-68GALLATE(3-)-68GA, (N6-(N-((TRANS-4-(((2-(4,7,10-TRIS((CARBOXY-.KAPPA.O)METHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,KN10)ACETYL-.KAPPA.O)AMINO)METHYL)CYCLOHEXYL)CARBONYL)-3-(2-NAPHTHALENYL)-L-ALANYL)-N2-((((1S)-1,3-DICARBOXYPROPYL)AMINO)CARBONYL)-L-LYSINATO(6-))-, HYDROGEN (1:3)
Data from PubChem (NCBI)
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