COC(=O)[C@@H]1C[C@@H](SC(C)=O)CN1C(=O)OC(C)(C)C
Name: (2S,4R)-4-acetylsulfanyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
SMILES: COC(=O)[C@@H]1C[C@@H](SC(C)=O)CN1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C13H21NO5S
Molecular weight
303.38
Exact mass
303.114
XLogP
1.82
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
75.42

Supplementary Information

Fetching details…

Involved in 1 reactions→

Extended Search

Substructure Search→Similarity Search→