MolName : [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3S,5S)-3-hydroxy-5-[(2-phenoxyacetyl)amino]-1,6-diphenylhexan-2-yl]carbamate |
MolecularFormula : C33H38N2O7 |
Smiles : O[C@@H](C[C@H](Cc1ccccc1)NC(COc1ccccc1)=O)[C@H](Cc1ccccc1)NC(O[C@@H]1[C@H](CCO2)[C@H]2OC1)=O |
InChI : InChI=1S/C33H38N2O7/c36-29(20-25(18-23-10-4-1-5-11-23)34-31(37)22-40-26-14-8-3-9-15-26)28(19-24-12-6-2-7-13-24)35-33(38)42-30-21-41-32-27(30)16-17-39-32/h1-15,25,27-30,32,36H,16-22H2,(H,34,37)(H,35,38)/t25-,27-,28-,29-,30-,32-/m0/s1 |
InChIK : PUZGZFDZPYTBGL-KZECFEFESA-N |
TotalMolweight : 574.672 |
Molweight : 574.672 |
MonoisotopicMass : 574.267903 |
CLogP : 3.886 |
CLogS : -5.583 |
H Acceptors : 9 |
H Donors : 3 |
TotalSurfaceArea : 441.87 |
Relative PSA : 0.23106 |
PolarSurfaceArea : 115.35 |
Druglikeness : -11.539 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.45238 |
Fragments : 1 |
Non HAtoms : 42 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
StereoCenters : 6 |
Rotatable Bond : 14 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 18 |
Symmetricatoms : 6 |
Amides : 2 |
StereoCon : this enantiomer |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |