Base information

Cat. No.
CAS No.125118-77-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C78H116N20O21
Molecular Weight 1669.88
Exact Mass 1668.86
XLogP3 1.9926
Mr 431.458
PSA 639.28
Sequence -
Atom number 235
Bond number 239
Ring number 5
Rotor number 63
Residues number 0
Canonical smiles NCC(=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)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)[C@H](O)C)Cc1c[nH]c2c1cccc2

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