Name: 3-(4-bromo-phenyl)-(2S)-[5-chloro-2-(2-methyl-butylamino)-benzoylamino]-propionic acid methyl ester
SMILES:
CCC(C)CNc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)OCMolecular Processing
Molecular formula
C22H26BrClN2O3
Molecular weight
481.82
Exact mass
480.0815
XLogP
5.07
TPSA
67.43
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
120.51
Supplementary Information
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