Base information

Cat. No.
CAS No.172519-53-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C127H206N36O38S3
Molecular Weight 2941.41
Exact Mass 2939.45
XLogP3 2.2364
Mr 746.31
PSA 1296.75
Sequence -
Atom number 410
Bond number 413
Ring number 4
Rotor number 124
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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CCCNC(=N)N)[C@H](CC)C)CC(=O)N)CCCCN)CC(=O)N)[C@H](O)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(=O)N)CCC(=O)O)C)CO)Cc1ccccc1)CC(=O)O)CCC(=O)N)CCSC)CCSC

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