Base information

Cat. No.
CAS No.53632-49-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C44H69N13O11
Molecular Weight 956.099
Exact Mass 955.524
XLogP3 1.3156
Mr 251.244
PSA 375.28
Sequence -
Atom number 137
Bond number 139
Ring number 3
Rotor number 35
Residues number 0
Canonical smiles CNCC(=O)N[C@H](C(=O)N[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)O)[C@H](O)C)Cc1nc[nH]c1)[C@H](CC)C)Cc1ccc(cc1)O)C(C)C)CCCNC(=N)N

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