COC(=O)C1CCC(C(=O)CSC2C(NC(=O)Cc3ccccc3)C(=O)N2C(O)C(=O)OCc2ccc(OC)cc2)O1
SMILES: COC(=O)C1CCC(C(=O)CSC2C(NC(=O)Cc3ccccc3)C(=O)N2C(O)C(=O)OCc2ccc(OC)cc2)O1

Molecular Processing

Molecular formula
C29H32N2O10S
Molecular weight
600.65
Exact mass
600.1778
XLogP
0.98
TPSA
157.77
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
13
Heavy atoms
42
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
148.88

Supplementary Information

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Involved in 3 reactions→

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