CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)O
SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C)C(=O)O

Molecular Processing

Molecular formula
C28H46N2O7S
Molecular weight
554.75
Exact mass
554.3026
XLogP
5.47
TPSA
142.03
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
17
Heavy atoms
38
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
152.33

Supplementary Information

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