이름: benzyl 4-[(3-amino-3-oxopropyl)(tert-butoxycarbonyl)amino]piperidin-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N(CCC(N)=O)C1CCN(C(=O)OCc2ccccc2)CC1Molecular Processing
Molecular formula
C21H31N3O5
Molecular weight
405.5
Exact mass
405.2264
XLogP
2.9
TPSA
102.17
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
107.97
Supplementary Information
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