CC(C)[C@@H](C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)[C@@H](OS(=O)n1ccnc1)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1
Name: resultant product
SMILES: CC(C)[C@@H](C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)[C@@H](OS(=O)n1ccnc1)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1

Molecular Processing

Molecular formula
C36H52N4O8S
Molecular weight
700.9
Exact mass
700.3506
XLogP
6.79
TPSA
129.5
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
49
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
182.95

Supplementary Information

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