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Chemical structure of DOTA-LM3

GC74393

DOTA-LM3

Also known as 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]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-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(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

DOTA-LM3 is a somatostatin receptor (SSTR) antagonist

ChemicalCAS1192362-32-5MW1550.16FormulaC69H93ClN16O19S2
CAS number
1192362-32-5
Molecular weight
1550.16
Formula
C69H93ClN16O19S2
InChIKey
KOZHSMBONUANKJ-GPCQATCWSA-N
Catalogue number
GC74393
Brand
GLPBIO
Computed properties PubChem CID 168355559 · XLogP -6.7 · TPSA 593 Ų · H-bond donors 18
XLogP
-6.7
TPSA
593 Ų
H-bond donors
18
H-bond acceptors
26
Rotatable bonds
28
Heavy atoms
107

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)O)NC(=O)[C@H](CC4=CC=C(C=C4)Cl)NC(=O)CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CC6=CC=C(C=C6)O)C(=O)N)O

Computed descriptors from PubChem (CID 168355559), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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