이름: tert-butyl trans(±)-3-{[(benzyloxy)carbonyl]amino}-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidine-1-carboxylate
SMILES:
CCc1[nH]c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2NC(=O)OCc2ccccc2)nc1ClMolecular Processing
Molecular formula
C24H32ClN5O5
Molecular weight
506
Exact mass
505.2092
XLogP
3.66
TPSA
125.65
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
130.2
Supplementary Information
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