Base information

Cat. No.
CAS No.66851-75-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C47H74N12O16
Molecular Weight 1063.16
Exact Mass 1062.53
XLogP3 1.3638
Mr 264.792
PSA 468.93
Sequence -
Atom number 149
Bond number 149
Ring number 1
Rotor number 42
Residues number 0
Canonical smiles CC[C@@H]([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)O)CC(=O)N)[C@H](CC)C)Cc1ccc(cc1)O)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CCC(=O)N)C)C)C

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