Base information

Cat. No.
CAS No.106507-61-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C77H119N23O30
Molecular Weight 1846.9
Exact Mass 1845.85
XLogP3 -1.4226
Mr 448.371
PSA 880.73
Sequence -
Atom number 249
Bond number 250
Ring number 2
Rotor number 79
Residues number 0
Canonical smiles CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(=N)N)Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)C)CCC(=O)N)C

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