Base information

Cat. No.
CAS No.110570-93-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C36H67N11O8S2
Molecular Weight 846.116
Exact Mass 845.462
XLogP3 2.5519
Mr 226.13
PSA 362.45
Sequence -
Atom number 124
Bond number 124
Ring number 1
Rotor number 35
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](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)CCSC)CO

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