Base information

Cat. No.
CAS No.37883-00-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C25H45N13O14S
Molecular Weight 783.768
Exact Mass 783.293
XLogP3 -3.4634
Mr 200.827
PSA 475.84
Sequence -
Atom number 98
Bond number 98
Ring number 2
Rotor number 12
Residues number 0
Canonical smiles OS(=O)(=O)O.NCCC[C@@H](CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)/C(=C/NC(=O)N)/NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CO)CO)[C@H]1C[C@H](O)N=C(N1)N)N

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