Base information

Cat. No.
CAS No.72826-15-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C47H70N12O15S
Molecular Weight 1075.2
Exact Mass 1074.48
XLogP3 0.7818
Mr 270.635
PSA 483.81
Sequence -
Atom number 145
Bond number 146
Ring number 2
Rotor number 42
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)O)CCCCN=C(N)N)CCC(=O)O)CO)[C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C

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