Base information

Cat. No.
CAS No.1373516-71-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C109H185N39O29
Molecular Weight 2505.88
Exact Mass 2504.42
XLogP3 0.3968
Mr 646.775
PSA 1105.63
Sequence -
Atom number 362
Bond number 366
Ring number 5
Rotor number 106
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=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)NCC(=O)O)CCCNC(=N)N)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1c[nH]cn1)CCCCN)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=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](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](N)C)CCCCN)C)C)CCCNC(=N)N)CCCCN)CO)C)C

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