CCOC(=O)CC[C@H](NC(=O)c1cc(C)c(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)s1)C(=O)OCC
SMILES: CCOC(=O)CC[C@H](NC(=O)c1cc(C)c(CC[C@H]2CNc3nc(N)[nH]c(=O)c3C2)s1)C(=O)OCC

Molecular Processing

Molecular formula
C24H33N5O6S
Molecular weight
519.62
Exact mass
519.2152
XLogP
1.94
TPSA
165.5
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
136.08

Supplementary Information

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