COC(=O)C[C@@H]1C(=O)N(CC(=O)O)CCN1C(=O)[C@H](CC(=O)N1CCN(c2ccncc2)CC1)NC(C)=S
SMILES: COC(=O)C[C@@H]1C(=O)N(CC(=O)O)CCN1C(=O)[C@H](CC(=O)N1CCN(c2ccncc2)CC1)NC(C)=S

Molecular Processing

Molecular formula
C24H32N6O7S
Molecular weight
548.62
Exact mass
548.2053
XLogP
-0.89
TPSA
152.69
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
38
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
139.19

Supplementary Information

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