이름: PAMA-K
SMILES:
CC(C)(C)OC(=O)CN(CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)Cc1ccccn1Molecular Processing
Molecular formula
C33H39N3O6
Molecular weight
573.69
Exact mass
573.2839
XLogP
5.39
TPSA
118.06
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
158.84
Supplementary Information
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