COc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)O)C2CCN(C(=O)OCCc3cccc4ccccc34)CC2)cc1
الاسم: 2-(R)-[(4-methoxybenzenesulfonyl)(4-picolyl)amino]-2-[(N-(2-(1-naphthyl)-ethoxycarbonyl))-4-piperidinyl] acetic acid
SMILES: COc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)O)C2CCN(C(=O)OCCc3cccc4ccccc34)CC2)cc1

Molecular Processing

Molecular formula
C33H35N3O7S
Molecular weight
617.72
Exact mass
617.2196
XLogP
4.98
TPSA
126.34
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.303
Molar refractivity
164.68

Supplementary Information

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