Base information

Cat. No.
CAS No.198483-36-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C36H47N7O10S2
Molecular Weight 801.929
Exact Mass 801.283
XLogP3 2.7617
Mr 207.163
PSA 332.74
Sequence -
Atom number 102
Bond number 104
Ring number 3
Rotor number 28
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)N

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