Name: benzyl (3S)-3-{[(benzyloxy)carbonyl]amino}-4-oxo-4-[(3-oxopropyl)amino]butanoate
SMILES:
O=CCCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C22H24N2O6
Molecular weight
412.44
Exact mass
412.1634
XLogP
2.12
TPSA
110.8
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.1
Supplementary Information
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