Base information

Cat. No.
CAS No.50913-82-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C34H51N9O11S
Molecular Weight 793.887
Exact Mass 793.343
XLogP3 0.8274
Mr 205.455
PSA 347.57
Sequence -
Atom number 106
Bond number 107
Ring number 2
Rotor number 28
Residues number 0
Canonical smiles NCCCC[C@H](C(=O)N(C(=O)[C@@H](NC(=O)[C@H](CC(S(=O)(=O)C)C(=O)O)N)CC1C=NC=N1)[C@H](C(=O)OC(=O)C(CC)N)C)NC(=O)[C@H](Cc1ccccc1)N

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