Base information

Cat. No.
CAS No.100853-58-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C84H137N29O26
Molecular Weight 1969.17
Exact Mass 1968.03
XLogP3 -0.7601
Mr 492.484
PSA 931.05
Sequence -
Atom number 276
Bond number 277
Ring number 2
Rotor number 83
Residues number 0
Canonical smiles CC[C@@H]([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)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@H](CC)C)C(=O)N)C)CC(=O)N)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)CCCNC(=N)N)CO)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)C)N)Cc1ccc(cc1)O)C)CC(=O)O)Cc1ccccc1)C

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