Base information

Cat. No.
CAS No.5534-95-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C37H49N7O9S
Molecular Weight 767.891
Exact Mass 767.331
XLogP3 4.175
Mr 202.296
PSA 276.21
Sequence -
Atom number 103
Bond number 105
Ring number 3
Rotor number 27
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)CCNC(=O)OC(C)(C)C

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