COC(=O)C1CC1c1ccc(C(=O)NC[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)OC(C)(C)C)s1
Name: product
SMILES: COC(=O)C1CC1c1ccc(C(=O)NC[C@H](NC(=O)OCC23CC4CC(CC(C4)C2)C3)C(=O)OC(C)(C)C)s1

Molecular Processing

Molecular formula
C29H40N2O7S
Molecular weight
560.71
Exact mass
560.2556
XLogP
4.41
TPSA
120.03
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
39
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.724
Molar refractivity
144.24

Supplementary Information

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