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Casrn : 65375-71-5

MolName : Cystine, N,N'-bis(hydrocinnamoyl)-, dipotassium salt, L-

MolecularFormula : K.K.C24H26N2O6S2

Smiles : [O-]C([C@H](CSSC[C@@H](C([O-])=O)NC(CCc1ccccc1)=O)NC(CCc1ccccc1)=O)=O.[K+].[K+]

InChI : InChI=1S/C24H28N2O6S2.2K/c27-21(13-11-17-7-3-1-4-8-17)25-19(23(29)30)15-33-34-16-20(24(31)32)26-22(28)14-12-18-9-5-2-6-10-18;;/h1-10,19-20H,11-16H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32);;/q;2*+1/p-2/t19-,20-;;/m0../s1

InChIK : WYDLEMGNLRZCCC-TULUPMBKSA-L

CanonicalSyTyLFy : 671c346f91dd0b08

TotalMolweight : 580.806

Molweight : 502.61

MonoisotopicMass : 502.123228

CLogP : -1.6372

CLogS : -4.338

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 384.54

Relative PSA : 0.36048

PolarSurfaceArea : 189.06

Druglikeness : 1.9201

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.64706

Molecula Flexibility : 0.67259

Molecular Complexity : 0.66621

Fragments : 3

Non HAtoms : 34

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 2

Rotatable Bond : 15

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 12

Symmetricatoms : 19

Amides : 2

AcidicOxygens : 2

StereoCon : this enantiomer