Name: (7S)-7-amino-7-(quinolin-6-ylcarbamoyl)-heptanoic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)CCCCC[C@H](N)C(=O)Nc1ccc2ncccc2c1Molecular Processing
Molecular formula
C21H29N3O3
Molecular weight
371.48
Exact mass
371.2209
XLogP
3.79
TPSA
94.31
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
107.28
Supplementary Information
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