Base information

Cat. No.
CAS No.195208-21-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H65N15O8
Molecular Weight 944.093
Exact Mass 943.514
XLogP3 3.5862
Mr 255.882
PSA 386.38
Sequence -
Atom number 133
Bond number 136
Ring number 4
Rotor number 35
Residues number 0
Canonical smiles CC(C[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCC(=O)N1)C

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