الاسم: 1-tert-butyl 4-((1R,3 aS,5aR,5bR,7aR,9S,11aR,11bR,13 aR,13bR)-3a-((2-((1S,4S)-2,2-dioxido-2-thia-5-azabicyclo[2.2.1]heptan-5-yl)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl) 2,2-dimethylsuccinate
SMILES:
C=C(C)[C@@H]1CC[C@]2(NCCN3C[C@@H]4C[C@H]3CS4(=O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)OC(C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C46H76N2O6S
Molecular weight
785.19
Exact mass
784.5424
XLogP
8.53
TPSA
102.01
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
55
Rings
7
Aromatic rings
0
Saturated rings
7
Aliphatic rings
7
Stereo centers
12
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.913
Molar refractivity
218.95
Supplementary Information
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