Nombre: (S)-1-phenylethyl-ammonium (S)-2-tert-butoxycarbonylamino-3-(phenyl-pyrimidin-2-ylamino)-propanoate
SMILES:
CC(C)(C)OC(=O)N[C@@H](CN(c1ccccc1)c1ncccn1)C(=O)[O-].C[C@H]([NH3+])c1ccccc1Molecular Processing
Molecular formula
C26H33N5O4
Molecular weight
479.58
Exact mass
479.2533
XLogP
2.25
TPSA
135.12
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
131.39
Supplementary Information
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