Base information

Cat. No.
CAS No.1392514-06-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C56H72N9NaO22S
Molecular Weight 1278.27
Exact Mass 1277.44
XLogP3 0.6027
Mr 326.917
PSA 498.29
Sequence -
Atom number 161
Bond number 166
Ring number 7
Rotor number 19
Residues number 0
Canonical smiles CCCCCOc1ccc(cc1)c1onc(c1)c1ccc(cc1)C(=O)N[C@H]1CC[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@H](CN2C(=O)[C@@H](NC(=O)C(NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](c1ccc(c(c1)OS(=O)(=O)O)O)O)O)[C@@H](CC(=O)N)O)C.[NaH]

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