Base information

Cat. No.
CAS No.20994-83-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C58H73N13O18S
Molecular Weight 1272.34
Exact Mass 1271.49
XLogP3 1.2562
Mr 322.05
PSA 533.33
Sequence -
Atom number 163
Bond number 167
Ring number 5
Rotor number 45
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)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc1ccc(cc1)O

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