Base information

Cat. No.
CAS No.137132-69-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C101H181N39O25
Molecular Weight 2341.76
Exact Mass 2340.41
XLogP3 3.8802
Mr 610.721
PSA 1107.13
Sequence -
Atom number 346
Bond number 348
Ring number 3
Rotor number 107
Residues number 0
Canonical smiles NCCCC[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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@H](O)C)CCCCN)CC(C)C)CCCNC(=N)N)CCCCN)CCCNC(=N)N)CCCCN)CCCNC(=N)N)CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)O)CO

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