Base information

Cat. No.
CAS No.132567-21-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C90H143N21O22S
Molecular Weight 1903.29
Exact Mass 1902.04
XLogP3 6.2764
Mr 496.891
PSA 709.54
Sequence -
Atom number 277
Bond number 279
Ring number 3
Rotor number 79
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)C)C)CCC(=O)O)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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)N)CCSC)CCC(=O)O)Cc1ccccc1)CC(C)C)C)Cc1ccccc1)CC(C)C)Cc1nc[nH]c1)CC(C)C

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