Base information

Cat. No.
CAS No.706808-05-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C82H141N27O22S
Molecular Weight 1889.23
Exact Mass 1888.05
XLogP3 2.5947
Mr 488.366
PSA 848.41
Sequence -
Atom number 273
Bond number 274
Ring number 2
Rotor number 81
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)[C@H](O)C)Cc1ccccc1)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)C)C)CCCNC(=N)N)CO)CC(C)C)CCCNC(=N)N)CS

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