SMILES:
C=CC(N)(CCC(=O)O)C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12Molecular Processing
Molecular formula
C17H21N3O8S
Molecular weight
427.44
Exact mass
427.1049
XLogP
-0.96
TPSA
176.33
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
100.3
Supplementary Information
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Involved in 1 reactions→