Base information

Cat. No.
CAS No.122018-91-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C54H75N11O18S
Molecular Weight 1198.3
Exact Mass 1197.5
XLogP3 0.1138
Mr 303.235
PSA 492.81
Sequence -
Atom number 159
Bond number 162
Ring number 4
Rotor number 43
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)O)[C@H](O)C)C(C)C)CC(=O)O)CO)CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)N)Cc1ccccc1

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