Base information

Cat. No.
CAS No.128631-86-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C95H155N27O26S
Molecular Weight 2123.48
Exact Mass 2122.14
XLogP3 1.2514
Mr 541.897
PSA 857.2
Sequence -
Atom number 304
Bond number 305
Ring number 2
Rotor number 91
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CO)CCCNC(=N)N)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)C)C)CC(C)C)Cc1ccccc1)CC(C)C)CC(C)C)C)C)CO

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