Base information

Cat. No.
CAS No.145459-34-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C88H139N25O26
Molecular Weight 1963.2
Exact Mass 1962.03
XLogP3 -0.342
Mr 495.877
PSA 829.2
Sequence -
Atom number 278
Bond number 280
Ring number 3
Rotor number 81
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](NC(=O)C)CO

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