Base information

Cat. No.
CAS No.2220175-42-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H75F3N14O13
Molecular Weight 1077.16
Exact Mass 1076.56
XLogP3 0.3758
Mr 286.318
PSA 469.76
Sequence -
Atom number 150
Bond number 150
Ring number 2
Rotor number 21
Residues number 0
Canonical smiles OC(=O)C(F)(F)F.NCC[C@@H](C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)Cc1ccccc1)CC(C)C)CCN)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)N

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