Base information

Cat. No.
CAS No.111846-40-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C36H67N11O7S2
Molecular Weight 830.117
Exact Mass 829.467
XLogP3 3.5795
Mr 224.968
PSA 347.42
Sequence -
Atom number 123
Bond number 123
Ring number 1
Rotor number 33
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCNC(=N)N)CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)C)CCSC

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