Base information

Cat. No.
CAS No.444305-16-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C70H114N18O21
Molecular Weight 1543.76
Exact Mass 1542.84
XLogP3 2.406
Mr 398.231
PSA 626.03
Sequence -
Atom number 223
Bond number 225
Ring number 3
Rotor number 62
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)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C)C)C)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CCCCN)CCCCN)CCC(=O)O)C)Cc1ccc(cc1)O

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