Base information

Cat. No.
CAS No.106375-28-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C111H171N33O41S5
Molecular Weight 2784.07
Exact Mass 2782.09
XLogP3 -9.6067
Mr 684.791
PSA 1418.48
Sequence -
Atom number 361
Bond number 366
Ring number 6
Rotor number 106
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1C[C@H](CN1C(=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](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CC(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)N)CCCCN)CO)O)CO)CO)CS)CO)O)CO)CC(=O)N)CS)CS)CCCNC(=N)N)CO)CS)CC(=O)N)O

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