Base information

Cat. No.
CAS No.124501-79-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C54H79N13O17
Molecular Weight 1182.28
Exact Mass 1181.57
XLogP3 -0.0223
Mr 299.535
PSA 492.4
Sequence -
Atom number 163
Bond number 165
Ring number 3
Rotor number 43
Residues number 0
Canonical smiles OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)C)CCC(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)N)CC(=O)N

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