Base information

Cat. No.
CAS No.25679-24-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C49H62N10O13S2
Molecular Weight 1063.21
Exact Mass 1062.39
XLogP3 3.3315
Mr 274.21
PSA 434.03
Sequence -
Atom number 136
Bond number 139
Ring number 4
Rotor number 38
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)O)CCSC

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