Base information

Cat. No.
CAS No.142569-99-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C86H117N17O27
Molecular Weight 1820.95
Exact Mass 1819.83
XLogP3 4.5895
Mr 461.583
PSA 695.9
Sequence -
Atom number 247
Bond number 251
Ring number 5
Rotor number 70
Residues number 0
Canonical smiles CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C)Cc1ccc(cc1)O)Cc1ccccc1)C)Cc1nc[nH]c1)CC(C)C)CC(=O)O)C

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