Base information

Cat. No.
CAS No.11056-06-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C110H168N34O46S7
Molecular Weight 2927.17
Exact Mass 2924.99
XLogP3 -4.2088
Mr 682.221
PSA 1506.34
Sequence -
Atom number 365
Bond number 374
Ring number 12
Rotor number 82
Residues number 0
Canonical smiles [O-]S(=O)(=O)[O-].OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O

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