Lemuplamor
(2S)-2,5-bis[(2R,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid
Molecular Identity
Lemuplamor
(2S)-2,5-bis[(2R,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid
PubChem CID: 170356829
2D Structure
Properties
C51H68N2O10
Molecular Formula
869.10
Molecular Weight
g/mol
868.4874
Exact Mass
Da
8.9
XLogP
Above Lipinski threshold
177
TPSA
May have limited oral absorption
5
H-Bond Donors
10
H-Bond Acceptors
1770
Complexity
SMILES
Canonical SMILES
SMILES: CC(=CCCC(=CCCC1(C(CC2=C(C=C3C(=C2O1)CN(C3=O)CCCC(C(=O)O)N4CC5=C6C(=C(C=C5C4=O)O)CC(C(O6)(C)CCC=C(C)CCC=C(C)C)O)O)O)C)C)CIsomeric SMILES
SMILES: CC(=CCC/C(=C/CC[C@@]1([C@H](CC2=C(C=C3C(=C2O1)CN(C3=O)CCC[C@@H](C(=O)O)N4CC5=C6C(=C(C=C5C4=O)O)C[C@@H]([C@@](O6)(C)CC/C=C(\C)/CCC=C(C)C)O)O)O)C)/C)CSynonyms(20)
LemuplamorBIIB131TMS-007Lemuplamor (USAN)LEMUPLAMOR [USAN](2S)-2,5-bis[(2R,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]pentanoic acid2643987-02-2lemuplamor [INN]SMTP7ML2F2KA68YBIIB-131JX10TMS007SCHEMBL26694331SCHEMBL30678552
Data from PubChem (NCBI)
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