Base information

Cat. No.
CAS No.100900-29-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C44H69N13O12
Molecular Weight 972.099
Exact Mass 971.519
XLogP3 1.6571
Mr 253.968
PSA 392.35
Sequence -
Atom number 138
Bond number 139
Ring number 3
Rotor number 34
Residues number 0
Canonical smiles CC(=O)O.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)NCC(=O)O)Cc1nc[nH]c1)[C@H](CC)C)Cc1ccc(cc1)O)C(C)C)CCCNC(=N)N

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