Base information

Cat. No.
CAS No.1447799-33-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C46H72N10O15S
Molecular Weight 1037.19
Exact Mass 1036.49
XLogP3 0.9633
Mr 264.818
PSA 419.49
Sequence -
Atom number 144
Bond number 145
Ring number 2
Rotor number 38
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)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)C)CC(=O)O)Cc1ccc(cc1)O)C)C(C)C)CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](N)C)CO

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