Base information

Cat. No.
CAS No.126646-79-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C25H42N10O11S
Molecular Weight 690.726
Exact Mass 690.276
XLogP3 -2.4802
Mr 166.636
PSA 387.36
Sequence -
Atom number 89
Bond number 89
Ring number 1
Rotor number 27
Residues number 0
Canonical smiles NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CS)CO)CC(=O)O)CCCNC(=N)N

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