Base information

Cat. No.
CAS No.79548-73-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C17H31ClN2O5S
Molecular Weight 410.956
Exact Mass 410.164
XLogP3 0.767
Mr 106.281
PSA 136.35
Sequence -
Atom number 57
Bond number 58
Ring number 2
Rotor number 7
Residues number 0
Canonical smiles CC[C@@H]1CCN[C@@H](C1)C(=O)N[C@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C

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