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

Formula:C39H42N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R,4S)-2-benzyl-5-[(3S,5R)-3-benzyl-5-[(4-hydroxyphenyl)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-hydroxyphenyl)methyl]-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
MolecularFormulaC39H42N2O5
SmilesO[C@@H](C[C@@H](Cc1ccccc1)C(N[C@H]([C@@H](C1)O)c2c1cccc2)=O)CN([C@@H](Cc(cc1)ccc1O)C[C@@H]1Cc2ccccc2)C1=O
InChIInChI=1S/C39H42N2O5/c42-33-17-15-28(16-18-33)21-32-22-31(20-27-11-5-2-6-12-27)39(46)41(32)25-34(43)23-30(19-26-9-3-1-4-10-26)38(45)40-37-35-14-8-7-13-29(35)24-36(37)44/h1-18,30-32,34,36-37,42-44H,19-25H2,(H,40,45)/t30-,31+,32-,34+,36-,37+/m1/s1
InChIKRKCCDXWHAMECFQ-ZZJDSTQQSA-N
TotalMolweight618.771
Molweight618.771
MonoisotopicMass618.309373
CLogP5.5587
CLogS-5.774
H Acceptors7
H Donors4
TotalSurfaceArea473.17
Relative PSA0.1699
PolarSurfaceArea110.1
Druglikeness5.6569
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.41304
Fragments1
Non HAtoms46
NonCHAtoms7
Electronegative Atoms7
StereoCenters6
Rotatable Bond12
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms16
Symmetricatoms6
Amides2
StereoConthis enantiomer

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


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