Base information

Cat. No.
CAS No.89139-53-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C83H135N29O30S2
Molecular Weight 2083.27
Exact Mass 2081.94
XLogP3 -4.5343
Mr 567.395
PSA 1024.12
Sequence -
Atom number 279
Bond number 280
Ring number 1
Rotor number 95
Residues number 0
Canonical smiles OC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC1=O)Cc1ccccc1)CCCNC(=N)N)[C@H](CC)C)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)N)NC(=O)[C@H](CO)N

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