Enlicitide Decanoate
decanoate;[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
Molecular Identity
Enlicitide Decanoate
decanoate;[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
PubChem CID: 172866837
2D Structure
Properties
C92H129FN14O17
Molecular Formula
1722.10
Molecular Weight
g/mol
1720.9644
Exact Mass
Da
407
TPSA
May have limited oral absorption
10
H-Bond Donors
18
H-Bond Acceptors
3350
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCC(=O)[O-].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)CIsomeric SMILES
SMILES: CCCCCCCCCC(=O)[O-].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)CSynonyms(11)
Enlicitide DecanoateLIPFENDRA2861205-06-1Lipfendra (TN)PSR59MCX5MEnlicitide decanoate [WHO-DD]CHEMBL6068420Enlicitide decanoate (JAN/USAN)ENLICITIDE DECANOATE [USAN]D13186L-Alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]-D-alanyl-3-[[(2-hydroxyacetyl)amino]methyl]-L-phenylalanyl-1-[6-[[[4-(2-aminoethyl)phenyl]methyl](3-carboxy-1-oxopropyl)amino]hexyl]-5-fluoro-L-tryptophyl-(3S)-3-hydroxy-L-prolyl-L-threonyl-O-methyl-L-tyrosyl-2-methyl-L-proline (4-->1),(8-->4)-dilactam cyclic (3-->5)-ether decanoate (1:1)
Data from PubChem (NCBI)
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