Base information

Cat. No.
CAS No.101233-12-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C86H137N25O25
Molecular Weight 1921.16
Exact Mass 1920.02
XLogP3 -0.21
Mr 485.969
PSA 826.12
Sequence -
Atom number 273
Bond number 275
Ring number 3
Rotor number 79
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)C)CCCCN)CO)C(C)C)CC(=O)N)[C@H](O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CO)N

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