Base information

Cat. No.
CAS No.181477-43-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C47H74N10O14S
Molecular Weight 1035.21
Exact Mass 1034.51
XLogP3 1.9441
Mr 267.508
PSA 413.25
Sequence -
Atom number 146
Bond number 147
Ring number 2
Rotor number 39
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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CO)Cc1ccccc1)C(C)C)CCC(=O)N)CC(=O)O)NC(=O)[C@H]([C@H](CC)C)N

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