COC(=O)[C@@H]1CCCN1C(=O)N1CCC(Nc2ccc(CCNC[C@H](O)c3ccc(O)cc3NS(C)(=O)=O)cc2)CC1
SMILES: COC(=O)[C@@H]1CCCN1C(=O)N1CCC(Nc2ccc(CCNC[C@H](O)c3ccc(O)cc3NS(C)(=O)=O)cc2)CC1

Molecular Processing

Molecular formula
C29H41N5O7S
Molecular weight
603.74
Exact mass
603.2727
XLogP
2.26
TPSA
160.54
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
42
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
159.91

Supplementary Information

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