Base information

Cat. No.
CAS No.83150-76-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C49H66N10O10S2
Molecular Weight 1019.24
Exact Mass 1018.44
XLogP3 3.021
Mr 289.39
PSA 382.82
Sequence -
Atom number 137
Bond number 141
Ring number 5
Rotor number 19
Residues number 0
Canonical smiles NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)NC(C(O)C)CO)NC(=O)[C@@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2

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