Base information

Cat. No.
CAS No.123714-50-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C142H230N36O44S
Molecular Weight 3177.63
Exact Mass 3175.66
XLogP3 3.43
Mr 814.395
PSA 1311.44
Sequence -
Atom number 453
Bond number 457
Ring number 5
Rotor number 132
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)N1CCC[C@H]1C(=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)CC(C)C)CC(C)C)CCC(=O)O)CCCNC(=N)N)Cc1ccc(cc1)O)CCCCN)[C@H](CC)C)[C@H](O)C)C(C)C)CCC(=O)O)CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C)CC(=O)O)CCSC)CO)CO)Cc1ccc(cc1)O)CCC(=O)O)CCC(=O)O)CC(C)C

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