Base information

Cat. No.
CAS No.80458-29-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C136H216N36O40
Molecular Weight 2995.39
Exact Mass 2993.6
XLogP3 2.8453
Mr 759.241
PSA 1244.7
Sequence -
Atom number 428
Bond number 431
Ring number 4
Rotor number 128
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@H](CC)C)C(=O)N)CC(C)C)CO)CCC(=O)O)CC(C)C)Cc1ccc(cc1)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)C)CC(=O)O)Cc1ccccc1)CO)CC(=O)O)Cc1ccccc1)CO)CCCNC(=N)N)CC(C)C)CC(C)C)CCC(=O)N)CC(C)C)CO)C

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