Base information

Cat. No.
CAS No.8068-28-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C58H105N16Na5O28S5
Molecular Weight 1749.82
Exact Mass 1748.54
XLogP3 1.4503
Mr 398.984
PSA 748.61
Sequence -
Atom number 217
Bond number 212
Ring number 1
Rotor number 48
Residues number 0
Canonical smiles CC[C@H](CCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])[C@H](O)C)CCNCS(=O)(=O)[O-])[C@H](O)C)CCNCS(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+].[Na+]

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