CC(COC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)OC(C)(C)C)OC(=O)C2=CC=CC=C2
Name: [(2R)-1-[(2S)-3-(3,4-dihydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxypropan-2-yl] benzoate
SMILES: CC(COC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)OC(C)(C)C)OC(=O)C2=CC=CC=C2

Molecular Processing

Molecular formula
C24H29NO8
Molecular weight
459.5
Exact mass
459.1893
XLogP
3.32
TPSA
131.39
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
118.91

Supplementary Information

InChIKey: LRVPEOXGGVAVBS-QAPCUYQASA-N
Synonyme
SCHEMBL2312325LRVPEOXGGVAVBS-QAPCUYQASA-N(2R)-2-phenylcarbonyloxypropyl (2S)-2-(tert-butoxycarbonyl)amino-3-(3,4-dihydroxyphenyl)propanoate(2r)-2-phenylcarbonyloxypropyl (2s)-3-(3,4-dihydroxyphenyl)-2-[(tert-butoxy)carbonylamino]propanoate(2R)-2-Phenylcarbonyloxypropyl(2S)-2-(tert-Butoxycarbonyl)amino-3-(3,4-dihydroxyphenyl)propanoate(2r)-2-phenylcarbonyloxypropyl(2s)-3-(3,4-dihydroxyphenyl)-2-[(tert-butoxy)carbonylamino]propanoate
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