Base information

Cat. No.
CAS No.259535-56-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C29H50N8O12S
Molecular Weight 734.819
Exact Mass 734.327
XLogP3 -2.2869
Mr 180.224
PSA 371.71
Sequence -
Atom number 100
Bond number 100
Ring number 1
Rotor number 27
Residues number 0
Canonical smiles OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CCC(=O)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)N)CS

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