Base information

Cat. No.
CAS No.129318-38-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C99H148N24O25S2
Molecular Weight 2138.51
Exact Mass 2137.05
XLogP3 5.9171
Mr 559.597
PSA 845.67
Sequence -
Atom number 298
Bond number 303
Ring number 6
Rotor number 84
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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)C)Cc1ccc(cc1)O)CCSC)C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCC(=O)N)Cc1ccccc1)CC(=O)N)CCSC)CCC(=O)N)CCC(=O)O

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