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Casrn : 134002-26-9

MolName : (2R,3R)-2,3-Dihydroxybutanedioic acid--2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide (1/1)

MolecularFormula : C18H20N2O.C4H6O6

Smiles : NC(C([C@H]1CNCC1)(c1ccccc1)c1ccccc1)=O.O[C@H]([C@H](C(O)=O)O)C(O)=O

InChI : InChI=1S/C18H20N2O.C4H6O6/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15;5-1(3(7)8)2(6)4(9)10/h1-10,16,20H,11-13H2,(H2,19,21);1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m11/s1

InChIK : HRXFENQYWZZQMX-NUFNRNBZSA-N

CanonicalSyTyLFy : 520631a60711bfe4

TotalMolweight : 430.455

Molweight : 280.37

MonoisotopicMass : 280.157563

CLogP : 1.5774

CLogS : -2.471

H Acceptors : 3

H Donors : 2

TotalSurfaceArea : 221.44

Relative PSA : 0.1796

PolarSurfaceArea : 55.12

Druglikeness : 2.8075

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.42857

Molecula Flexibility : 0.46723

Molecular Complexity : 0.76043

Fragments : 2

Non HAtoms : 21

NonCHAtoms : 3

Electronegative Atoms : 3

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 8

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon : this enantiomer