CCOC(=O)CC1SC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N(CCCN(C)CCOc2ccc3c(c2)OCO3)C1=O
SMILES: CCOC(=O)CC1SC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N(CCCN(C)CCOc2ccc3c(c2)OCO3)C1=O

Molecular Processing

Molecular formula
C34H48N2O7S
Molecular weight
628.83
Exact mass
628.3182
XLogP
6.01
TPSA
97.77
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
44
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
172.76

Supplementary Information

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Involved in 4 reactions→

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