名称: [1-(6-{5-[4-(6-{2-[2-(2-Cyclopropyl-2-methoxycarbonylamino-acetyl)-2-aza-bicyclo[2.2.1]hept-3-yl]-3H-imidazol-4-yl}-naphthalen-2-yl)-phenyl]-1H-imidazol-2-yl}-5-aza-spiro[2.4]heptane-5-carbonyl)-2-methyl-propyl]-carbamic acid methyl ester
SMILES:
COC(=O)NC(C(=O)N1CC2(CC2)CC1c1ncc(-c2ccc(-c3ccc4cc(-c5cnc(C6C7CCC(C7)N6C(=O)C(NC(=O)OC)C6CC6)[nH]5)ccc4c3)cc2)[nH]1)C(C)CMolecular Processing
Molecular formula
C48H54N8O6
Molecular weight
839.01
Exact mass
838.4166
XLogP
7.91
TPSA
174.64
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
62
Rings
10
Aromatic rings
5
Saturated rings
5
Aliphatic rings
5
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
232.22
Supplementary Information
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