Enlicitide Chloride
[6-[[(11S,17S,20S,23S,27S,39S,42S,63S,66R)-47-fluoro-20-[(1R)-1-hydroxyethyl]-17-[(4-methoxyphenyl)methyl]-11,63-dimethyl-10,16,19,22,30,40,58,61,64,67,70-undecaoxo-28-oxa-1,9,15,18,21,24,31,41,51,62,65,68-dodecazanonacyclo[37.18.11.23,6.124,42.133,37.144,51.011,15.023,27.045,50]triheptaconta-3(73),4,6(72),33,35,37(71),44(69),45(50),46,48-decaen-66-yl]methylamino]-6-oxohexyl]-trimethylazanium chloride
Molecular Identity
Enlicitide Chloride
[6-[[(11S,17S,20S,23S,27S,39S,42S,63S,66R)-47-fluoro-20-[(1R)-1-hydroxyethyl]-17-[(4-methoxyphenyl)methyl]-11,63-dimethyl-10,16,19,22,30,40,58,61,64,67,70-undecaoxo-28-oxa-1,9,15,18,21,24,31,41,51,62,65,68-dodecazanonacyclo[37.18.11.23,6.124,42.133,37.144,51.011,15.023,27.045,50]triheptaconta-3(73),4,6(72),33,35,37(71),44(69),45(50),46,48-decaen-66-yl]methylamino]-6-oxohexyl]-trimethylazanium chloride
PubChem CID: 166642685
2D Structure
Properties
C82H110ClFN14O15
Molecular Formula
1586.30
Molecular Weight
g/mol
1584.7948
Exact Mass
Da
366
TPSA
May have limited oral absorption
10
H-Bond Donors
17
H-Bond Acceptors
3240
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(=O)NC(C(=O)NC2CC3=CC(=CC=C3)CNC(=O)COC4CCN5C4C(=O)NC(C(=O)NC(C(=O)N6CCCC6(C(=O)NCCC7=CC=C(CN(CCCCCCN8C=C(CC(C5=O)NC2=O)C9=C8C=CC(=C9)F)C(=O)CCC(=O)N1)C=C7)C)CC1=CC=C(C=C1)OC)C(C)O)CNC(=O)CCCCC[N+](C)(C)C.[Cl-]Isomeric SMILES
SMILES: C[C@H]1C(=O)N[C@@H](C(=O)N[C@H]2CC3=CC(=CC=C3)CNC(=O)CO[C@H]4CCN5[C@@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N6CCC[C@]6(C(=O)NCCC7=CC=C(CN(CCCCCCN8C=C(C[C@@H](C5=O)NC2=O)C9=C8C=CC(=C9)F)C(=O)CCC(=O)N1)C=C7)C)CC1=CC=C(C=C1)OC)[C@@H](C)O)CNC(=O)CCCCC[N+](C)(C)C.[Cl-]Synonyms(20)
Enlicitide chloride2407527-16-43D2DNA8NXKRefChem:1084095Enlicitide (chloride)MK-0616 (chloride)Chlorure d'enlicitideChloruro de enlicitidaENLICITIDE CHLORIDE (MK-0616)enlicitide chloride [INN]orb2645918CHEMBL6067978EnlicitideDecanoate (MK-0616)GLXC-26846HY-P4153
Data from PubChem (NCBI)
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