C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C18H32N4O6
Molecular weight
400.48
Exact mass
400.2322
XLogP
-1.22
TPSA
165.05
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
28
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
100.6

Supplementary Information

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