Base information

Cat. No.
CAS No.851199-59-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C59H79N15O21S6
Molecular Weight 1526.74
Exact Mass 1525.39
XLogP3 -0.593
Mr 414.57
PSA 725.71
Sequence -
Atom number 180
Bond number 185
Ring number 6
Rotor number 14
Residues number 0
Canonical smiles OC(=O)CC[C@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CSSC[C@H](NC(=O)CNC(=O)C(NC3=O)[C@H](O)C)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CSSC[C@@H](C(=O)N2)N)CC(=O)N)CCC4

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