이름: [1-(2-{5-[4-(6-{2-[1-(2S)-(2-Methoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-naphthalen-2-yl)-phenyl]-1H-imidazol-2-yl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester
SMILES:
COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)cc4)ccc3c2)[nH]1)c1ccccc1Molecular Processing
Molecular formula
C47H50N8O6
Molecular weight
822.97
Exact mass
822.3853
XLogP
8.09
TPSA
174.64
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
61
Rings
8
Aromatic rings
6
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.319
Molar refractivity
230.81
Supplementary Information
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