Base information

Cat. No.
CAS No.14317-68-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H69N11O12
Molecular Weight 956.096
Exact Mass 955.513
XLogP3 2.0978
Mr 268.189
PSA 373.51
Sequence -
Atom number 137
Bond number 139
Ring number 3
Rotor number 20
Residues number 0
Canonical smiles CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)O)C

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