C=CS(=O)(=O)C=C.CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
SMILES: C=CS(=O)(=O)C=C.CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

Molecular Processing

Molecular formula
C19H32N4O9S
Molecular weight
492.55
Exact mass
492.189
XLogP
-1.16
TPSA
236.05
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
33
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.526
Molar refractivity
118.92

Supplementary Information

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