Molecules/(S)-1-((R)-5-Oxotetrahydrofuran-3-carbonyl)piperidin-3-yl 4-((1R,2S)-1-(4-cyclopropylphenyl)-2-((R)-tetrahydrofuran-2-carboxamido)propoxy)benzoate
(S)-1-((R)-5-Oxotetrahydrofuran-3-carbonyl)piperidin-3-yl 4-((1R,2S)-1-(4-cyclopropylphenyl)-2-((R)-tetrahydrofuran-2-carboxamido)propoxy)benzoate
[(3S)-1-[(3R)-5-oxooxolane-3-carbonyl]piperidin-3-yl] 4-[(1R,2S)-1-(4-cyclopropylphenyl)-2-[[(2R)-oxolane-2-carbonyl]amino]propoxy]benzoate
Molecular Identity
(S)-1-((R)-5-Oxotetrahydrofuran-3-carbonyl)piperidin-3-yl 4-((1R,2S)-1-(4-cyclopropylphenyl)-2-((R)-tetrahydrofuran-2-carboxamido)propoxy)benzoate
[(3S)-1-[(3R)-5-oxooxolane-3-carbonyl]piperidin-3-yl] 4-[(1R,2S)-1-(4-cyclopropylphenyl)-2-[[(2R)-oxolane-2-carbonyl]amino]propoxy]benzoate
PubChem CID: 126714060
2D Structure
Properties
C34H40N2O8
Molecular Formula
604.70
Molecular Weight
g/mol
604.2785
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
1030
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(C1=CC=C(C=C1)C2CC2)OC3=CC=C(C=C3)C(=O)OC4CCCN(C4)C(=O)C5CC(=O)OC5)NC(=O)C6CCCO6Isomeric SMILES
SMILES: C[C@@H]([C@@H](C1=CC=C(C=C1)C2CC2)OC3=CC=C(C=C3)C(=O)O[C@H]4CCCN(C4)C(=O)[C@@H]5CC(=O)OC5)NC(=O)[C@H]6CCCO6Synonyms(18)
LEO 1343102089130-74-3CHEMBL4762028LEO-134310orb1739550SCHEMBL18660963GTPL11901GLXC-25357EX-A6977BDBM50560313LEO134310LEO 134310?DA-74954HY-144397CS-0380121
Data from PubChem (NCBI)
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Molecular Structure
(S)-1-((R)-5-Oxotetrahydrofuran-3-carbonyl)piperidin-3-yl 4-((1R,2S)-1-(4-cyclopropylphenyl)-2-((R)-tetrahydrofuran-2-carboxamido)propoxy)benzoate
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Drug Network
Trials and conditions connected to (S)-1-((R)-5-Oxotetrahydrofuran-3-carbonyl)piperidin-3-yl 4-((1R,2S)-1-(4-cyclopropylphenyl)-2-((R)-tetrahydrofuran-2-carboxamido)propoxy)benzoate
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