Name: (R)-(−)-2-[3-[3-(1-tert-Butylcarbonylmethyl-2-oxo-5-c yclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)urei do]phenyl]-2-methylpropionic acid
SMILES:
CC(C)(C)C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(C)(C)C(=O)O)c2)CN(C2CCCCC2)c2ccccc21Molecular Processing
Molecular formula
C32H42N4O5
Molecular weight
562.71
Exact mass
562.3155
XLogP
5.34
TPSA
119.05
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
41
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
160.52
Supplementary Information
Details werden geladen…
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