Base information

Cat. No.
CAS No.142878-79-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C102H166N28O30S3
Molecular Weight 2360.77
Exact Mass 2359.15
XLogP3 1.2928
Mr 659.328
PSA 1011.58
Sequence -
Atom number 329
Bond number 331
Ring number 2
Rotor number 107
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)NCC(=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](CCSC)NC(=O)[C@H](CO)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)CNC(=O)[C@@H](NC1=O)Cc1ccccc1)CC(C)C)CCCCN)CC(C)C)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CC(C)C)CO

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