Base information

Cat. No.
CAS No.118374-47-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C58H97N15O17
Molecular Weight 1276.48
Exact Mass 1275.72
XLogP3 0.7788
Mr 356.435
PSA 529.23
Sequence -
Atom number 187
Bond number 188
Ring number 2
Rotor number 26
Residues number 0
Canonical smiles OC[C@@H]1NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC1=O)c1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N)CC(C)C)[C@@H](C(C)C)O)CC(C)C)CCCNC(=N)N)[C@H](CC)C)[C@@H](O)C)[C@@H](C(=O)N)O

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