Name: tert-butyl (4S)-4-{[2-(tert-butoxycarbonylamino)acetyl]amino}-5-{[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}-5-oxopentylcarbamate
SMILES:
Cn1ncc(NC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)CNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C40H51N7O6
Molecular weight
725.89
Exact mass
725.3901
XLogP
6.08
TPSA
164.71
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
53
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
204.31
Supplementary Information
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Involved in 2 reactions→