Base information

Cat. No.
CAS No.100930-04-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C37H57N11O11S
Molecular Weight 863.981
Exact Mass 863.396
XLogP3 1.4286
Mr 219.975
PSA 398.44
Sequence -
Atom number 117
Bond number 118
Ring number 2
Rotor number 34
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)C(C)C)CCC(=O)O)NC(=O)[C@H](CO)N

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