Rm-2 ga-68
2-[4-[2-[[1-[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
Molecular Identity
Rm-2 ga-68
2-[4-[2-[[1-[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]piperidin-4-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gallium-68(3+)
PubChem CID: 72722205
2D Structure
Properties
C78H115GaN20O19
Molecular Formula
1704.80
Molecular Weight
g/mol
1703.7927
Exact Mass
Da
578
TPSA
May have limited oral absorption
15
H-Bond Donors
25
H-Bond Acceptors
3260
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC(C(CC(=O)NC(CC(C)C)C(=O)N)O)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC4=CC=CC=C4)NC(=O)CN5CCC(CC5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ga+3]Isomeric SMILES
SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)CN5CCC(CC5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[68Ga+3]Synonyms(20)
Bombesin (68Ga)68Ga-RM2(68Ga)-RM2RM-2 Ga-68UNII-NPI2H5M36DBAY-86-7548(68Ga)RM2[68Ga]RM2(68GA)DOTA-4-AMINO-1-CARBOXYMETHYLPIPERIDINE-D-PHE-GLN-TRP-ALA-VAL-GLY-HIS-STA-LEU-NH2GALLIUM-68GA, (N-(2-(4-((2-(4,10-BIS((CARBOXY-.KAPPA.O)METHYL)-7-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL)AMINO)-1-PIPERIDINYL)ACETYL)-D-PHENYLALANYL-L-GLUTAMINYL-L-TRYPTOPHYL-L-ALANYL-L-VALYLGLYCYL-L-HISTIDYL-(3S,4S)-4-AMINO-3-HYDROXY-6-METHYLHEPTANOYL-L-LEUCINAMIDATO(3-))-(68Ga)-labeled Bombesin Analog BAY86-7548[68Ga]-labeled Bombesin Analog BAY86-7548RefChem:17956568Ga-DOTA RM2Gallium Ga 68-labeled RM2
Data from PubChem (NCBI)
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