Base information

Cat. No.
CAS No.69856-17-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C105H180N32O26S
Molecular Weight 2338.82
Exact Mass 2337.35
XLogP3 6.3588
Mr 606.789
PSA 1030.26
Sequence -
Atom number 344
Bond number 345
Ring number 2
Rotor number 102
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)N[C@H](C(=O)N)CC(=O)N)CC(C)C)[C@H](CC)C)CO)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)CCCCN)NC(=O)[C@H](C(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]([C@H](O)C)NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)CCCCN)CCC(=O)N)CCSC)C

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