Base information

Cat. No.
CAS No.198694-37-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C88H146N26O34
Molecular Weight 2112.25
Exact Mass 2111.05
XLogP3 -2.602
Mr 518.627
PSA 982.63
Sequence -
Atom number 294
Bond number 295
Ring number 2
Rotor number 88
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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)[C@H](O)C)[C@H](O)C)CCCNC(=N)N)CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CO)C)CC(=O)N)CC(C)C)CC(=O)O)CC(=O)O)CCC(=O)O

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