Название: (2S,3S)-2-[(3,5-difluorophenyl)methyl]-3-hydroxy-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid

SMILES: CC(C)(C)OC(=O)N1CCOCC1C(C(CC2=CC(=CC(=C2)F)F)C(=O)O)O

Molecular Processing

Molecular formula

C19H25F2NO6

Molecular weight

401.41

Exact mass

401.165

XLogP

2.2

TPSA

96.3

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.579

Molar refractivity

94.74

Supplementary Information

InChIKey: VZKIDLUSKUDVFY-AQOJYXMDSA-N

Синонимы

SCHEMBL2203424VZKIDLUSKUDVFY-AQOJYXMDSA-N(2S,3S)-2-(3,5-difluorobenzyl)-3-(4-(tert-butoxycarbonyl)morpholin-3-yl)-3-hydroxypropanoic acid