Base information

Cat. No.
CAS No.112160-83-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C94H171N31O28
Molecular Weight 2183.55
Exact Mass 2182.29
XLogP3 0.9262
Mr 557.674
PSA 983.62
Sequence -
Atom number 324
Bond number 324
Ring number 1
Rotor number 97
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)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C)[C@H](O)C)CC(C)C)CC(C)C)C)CCCNC(=N)N)CC(C)C)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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CO)CC(=O)O)CCCNC(=N)N)CO)C)CC(C)C)CC(C)C)CCCCN)CO

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