Menu

(2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-5-[[4-(2-hydroxyethoxy)phenyl]methyl]-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

Formula:C41H46N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-5-[[4-(2-hydroxyethoxy)phenyl]methyl]-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide is not a drug-like molecule.
MolName(2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-5-[[4-(2-hydroxyethoxy)phenyl]methyl]-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
MolecularFormulaC41H46N2O6
SmilesOCCOc1ccc(C[C@@H](C[C@@H]2Cc3ccccc3)N(C[C@H](C[C@@H](Cc3ccccc3)C(N[C@H]([C@@H](C3)O)c4c3cccc4)=O)O)C2=O)cc1
InChIInChI=1S/C41H46N2O6/c44-19-20-49-36-17-15-30(16-18-36)23-34-24-33(22-29-11-5-2-6-12-29)41(48)43(34)27-35(45)25-32(21-28-9-3-1-4-10-28)40(47)42-39-37-14-8-7-13-31(37)26-38(39)46/h1-18,32-35,38-39,44-46H,19-27H2,(H,42,47)/t32-,33+,34-,35+,38-,39+/m1/s1
InChIKWGDGPLAUVPABOV-IWUMVIHASA-N
TotalMolweight662.824
Molweight662.824
MonoisotopicMass662.335588
CLogP5.314
CLogS-5.881
H Acceptors8
H Donors4
TotalSurfaceArea510.69
Relative PSA0.177
PolarSurfaceArea119.33
Druglikeness5.2182
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44898
Fragments1
Non HAtoms49
NonCHAtoms8
Electronegative Atoms8
StereoCenters6
Rotatable Bond15
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms19
Symmetricatoms6
Amides2
StereoConthis enantiomer

Request More Details | (2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-5-[[4-(2-hydroxyethoxy)phenyl]methyl]-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments