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

Formula:C45H51N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)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-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
MolecularFormulaC45H51N3O7
SmilesO[C@@H](C[C@@H](Cc1ccccc1)C(N[C@H]([C@@H](C1)O)c2c1cccc2)=O)CN([C@@H](Cc(cc1)ccc1OCC(N1CCOCC1)=O)C[C@@H]1Cc2ccccc2)C1=O
InChIInChI=1S/C45H51N3O7/c49-38(27-35(23-31-9-3-1-4-10-31)44(52)46-43-40-14-8-7-13-34(40)28-41(43)50)29-48-37(26-36(45(48)53)24-32-11-5-2-6-12-32)25-33-15-17-39(18-16-33)55-30-42(51)47-19-21-54-22-20-47/h1-18,35-38,41,43,49-50H,19-30H2,(H,46,52)/t35-,36+,37-,3
InChIKUJNULCJSSNXXSI-NTYKNBAASA-N
TotalMolweight745.914
Molweight745.914
MonoisotopicMass745.372702
CLogP5.1536
CLogS-5.56
H Acceptors10
H Donors3
TotalSurfaceArea570.17
Relative PSA0.18219
PolarSurfaceArea128.64
Druglikeness5.4246
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45455
Fragments1
Non HAtoms55
NonCHAtoms10
Electronegative Atoms10
StereoCenters6
Rotatable Bond15
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms22
Symmetricatoms8
Amides3
StereoConthis enantiomer

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


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