Base information

Cat. No.
CAS No.117107-54-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C49H67N13O15
Molecular Weight 1078.13
Exact Mass 1077.49
XLogP3 -1.1226
Mr 272.308
PSA 453.66
Sequence -
Atom number 144
Bond number 147
Ring number 4
Rotor number 39
Residues number 0
Canonical smiles OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)CC(=O)N)Cc1c[nH]c2c1cccc2)CO)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC(C)C)Cc1ccccc1

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