COOCNC(C(=O)N1CCCC1c1ncc(-c2ccc(C3=CC4SC(c5cnc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)=CC4S3)cc2)[nH]1)c1ccccc1
SMILES: COOCNC(C(=O)N1CCCC1c1ncc(-c2ccc(C3=CC4SC(c5cnc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)=CC4S3)cc2)[nH]1)c1ccccc1

Molecular Processing

Molecular formula
C43H50N8O6S2
Molecular weight
839.06
Exact mass
838.3295
XLogP
6.99
TPSA
166.8
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
14
Heavy atoms
59
Rings
8
Aromatic rings
4
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
228.15

Supplementary Information

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