الاسم: (1S,4S)-5-(2-(((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-3a-yl)amino)ethyl)-2-thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
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](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C36H60N2O3S
Molecular weight
600.95
Exact mass
600.4325
XLogP
6.22
TPSA
69.64
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
42
Rings
7
Aromatic rings
0
Saturated rings
7
Aliphatic rings
7
Stereo centers
12
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.944
Molar refractivity
170.83
Supplementary Information
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