Base information

Cat. No.
CAS No.145963-49-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C121H202N28O26S2
Molecular Weight 2529.2
Exact Mass 2527.48
XLogP3 9.4614
Mr 700.909
PSA 889.95
Sequence -
Atom number 379
Bond number 383
Ring number 5
Rotor number 84
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)[C@H](CC)C)[C@H](O)C)CCCCN)C(=O)O)Cc1ccccc1)CC(C)C)C)C(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=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](Cc1ccccc1)N)CC(C)C)CC(C)C)C)C)C

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