الاسم: 2-(R)-[(4-methoxybenzenesulfonyl)(4-picolyl)amino]-2-[(N-(2-(2,3-methylenedioxyphenyl)-ethoxycarbonyl))-4-piperidinyl]acetic acid
SMILES:
COc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)O)C2CCN(C(=O)OCCc3cccc4c3OCO4)CC2)cc1Molecular Processing
Molecular formula
C30H33N3O9S
Molecular weight
611.67
Exact mass
611.1938
XLogP
3.55
TPSA
144.8
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
153.3
Supplementary Information
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