الاسم: 1-tert-butyl 4-((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-((S)-3-(1-(5-chloropyrimidin-2-yl)cyclopropyl)-2-oxooxazolidin-5-yl)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-9-yl) 2,2-dimethylsuccinate
SMILES:
CC(C)C1=C2[C@H]3CC[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@@]4(C)[C@]3(C)CC[C@@]2([C@H]2CN(C3(c4ncc(Cl)cn4)CC3)C(=O)O2)CC1=OMolecular Processing
Molecular formula
C49H70ClN3O7
Molecular weight
848.57
Exact mass
847.4902
XLogP
10.59
TPSA
124.99
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
60
Rings
8
Aromatic rings
1
Saturated rings
6
Aliphatic rings
7
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.796
Molar refractivity
228.48
Supplementary Information
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