Base information

Cat. No.
CAS No.128270-60-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C98H138N24O33
Molecular Weight 2180.29
Exact Mass 2178.99
XLogP3 0.5432
Mr 550.222
PSA 901.57
Sequence -
Atom number 293
Bond number 298
Ring number 6
Rotor number 86
Residues number 0
Canonical smiles CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N)CCCNC(=N)N)CC(=O)N)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C

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