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

Formula:C41H45N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,4S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-5-[(3S,5R)-3,5-dibenzyl-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-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
MolecularFormulaC41H45N3O6
SmilesNC(COc1ccc(C[C@H](C[C@@H](CN([C@@H](Cc2ccccc2)C[C@@H]2Cc3ccccc3)C2=O)O)C(N[C@H]([C@@H](C2)O)c3c2cccc3)=O)cc1)=O
InChIInChI=1S/C41H45N3O6/c42-38(47)26-50-35-17-15-29(16-18-35)19-31(40(48)43-39-36-14-8-7-13-30(36)24-37(39)46)23-34(45)25-44-33(21-28-11-5-2-6-12-28)22-32(41(44)49)20-27-9-3-1-4-10-27/h1-18,31-34,37,39,45-46H,19-26H2,(H2,42,47)(H,43,48)/t31-,32+,33-,34+,37-,3
InChIKPOMSJFYOYXHCEK-PDKOWJCBSA-N
TotalMolweight675.823
Molweight675.823
MonoisotopicMass675.330837
CLogP4.5666
CLogS-5.939
H Acceptors9
H Donors4
TotalSurfaceArea516.85
Relative PSA0.20431
PolarSurfaceArea142.19
Druglikeness5.9368
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.42
Fragments1
Non HAtoms50
NonCHAtoms9
Electronegative Atoms9
StereoCenters6
Rotatable Bond15
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms17
Symmetricatoms6
Amides3
StereoConthis enantiomer

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


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