Base information

Cat. No.
CAS No.88866-92-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C44H68N14O10S
Molecular Weight 985.164
Exact Mass 984.496
XLogP3 2.9998
Mr 258.217
PSA 436.35
Sequence -
Atom number 137
Bond number 138
Ring number 2
Rotor number 40
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)O)C(C)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N

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