الاسم: N-(trityloxy)-2-(R)-[(4-methoxybenzenesulfonyl) (4-picolyl)amino]-2-[(N-(2-(2,3-methylenedioxyphenyl)-ethoxycarbonyl))-4-piperidinyl]acetamide
SMILES:
COc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NOC(c2ccccc2)(c2ccccc2)c2ccccc2)C2CCN(C(=O)OCCc3cccc4c3OCO4)CC2)cc1Molecular Processing
Molecular formula
C49H48N4O9S
Molecular weight
869.01
Exact mass
868.3142
XLogP
7.51
TPSA
145.83
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
16
Heavy atoms
63
Rings
8
Aromatic rings
6
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.245
Molar refractivity
234.1
Supplementary Information
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