Name: (S)-1-(2-(tert-butoxycarbonyl)-3-phenylpropanoyl)-6-(pyridin-4-yl)indoline-4-carboxylic acid
SMILES:
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)C(=O)N1CCc2c(C(=O)O)cc(-c3ccncc3)cc21Molecular Processing
Molecular formula
C28H28N2O5
Molecular weight
472.54
Exact mass
472.1998
XLogP
4.54
TPSA
96.8
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
132.17
Supplementary Information
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