Base information

Cat. No.
CAS No.228544-21-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H55N9O12
Molecular Weight 913.971
Exact Mass 913.397
XLogP3 1.2698
Mr 239.245
PSA 348.7
Sequence -
Atom number 121
Bond number 125
Ring number 5
Rotor number 28
Residues number 0
Canonical smiles OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(=O)N)[C@H](O)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)O)N

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