Base information

Cat. No.
CAS No.54651-05-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C53H83N7O16
Molecular Weight 1074.26
Exact Mass 1073.59
XLogP3 0.1215
Mr 301.248
PSA 368.19
Sequence -
Atom number 159
Bond number 162
Ring number 4
Rotor number 22
Residues number 0
Canonical smiles CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](Cc1ccc(cc1)O)O)O)[C@H](O)C)C

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