Satoreotide tetraxetan lutetium LU-177
2-[4-[2-[[(2S)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-13-[[4-(carbamoylamino)phenyl]methyl]-16-[[4-[[(4S)-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;lutetium-177(3+)
Molecular Identity
Satoreotide tetraxetan lutetium LU-177
2-[4-[2-[[(2S)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-13-[[4-(carbamoylamino)phenyl]methyl]-16-[[4-[[(4S)-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;lutetium-177(3+)
PubChem CID: 137528274
2D Structure
Properties
C74H95ClLuN19O21S2
Molecular Formula
1863.20
Molecular Weight
g/mol
1861.5518
Exact Mass
Da
669
TPSA
May have limited oral absorption
17
H-Bond Donors
28
H-Bond Acceptors
3360
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CC=C(C=C2)NC(=O)N)CC3=CC=C(C=C3)NC(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(CC7=CC=C(C=C7)O)C(=O)N)O.[Lu+3]Isomeric SMILES
SMILES: C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CC=C(C=C2)NC(=O)N)CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CC5=CC=C(C=C5)Cl)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@H](CC7=CC=C(C=C7)O)C(=O)N)O.[177Lu+3]Synonyms(15)
SomtherCAX3X53UL6177Lu-DOTA-JR11Lutetium-177 DOTA satoreotideLu-177 OPS-201Lutetium-177 satoreotide tetraxetanSatoreotide tetraxetan lutetium-177SATOREOTIDE TETRAXETAN LUTETIUM LU-1772211152-69-9RefChem:931318UNII-CAX3X53UL6177Lu-OPS201SCHEMBL29408665177Lu-DOTA-(Cpa-c(DCys-Aph(Hor)-DAph(Cbm)-Lys-Thr-Cys)-DTyr-NH2)177Lu-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid-Cpa-cyclo(d-Cys-amino-Phe-hydroorotic acid-D-4-amino-Phe(carbamoyl)-Lys-Thr-Cys)-D-Tyr-NH2
Data from PubChem (NCBI)
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