Base information

Cat. No.
CAS No.77128-69-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C43H61N9O9S
Molecular Weight 880.064
Exact Mass 879.431
XLogP3 2.818
Mr 236.512
PSA 297.6
Sequence -
Atom number 123
Bond number 125
Ring number 3
Rotor number 31
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)CN(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)Cc1ccccc1)C)Cc1ccccc1)C)CC(C)C

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