Base information

Cat. No.
CAS No.83404-42-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C39H59N11O9S
Molecular Weight 858.019
Exact Mass 857.422
XLogP3 2.8432
Mr 224.788
PSA 371.37
Sequence -
Atom number 119
Bond number 120
Ring number 2
Rotor number 35
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N

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