$CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1/C=C\CCCC(=O)O$

Nombre: (2S,4R)-1-t-butoxycarbonyl-2-[{Z)-5-carboxy-1-pentenyl]-4-(4-chlorophenylsulfonylamino)pyrrolidine

SMILES: CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C[C@H]1/C=C\CCCC(=O)O

Molecular Processing

Molecular formula

C21H29ClN2O6S

Molecular weight

472.99

Exact mass

472.1435

XLogP

3.81

TPSA

113.01

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.524

Molar refractivity

117.53

Supplementary Information

Obteniendo detalles…