Base information

Cat. No.
CAS No.89139-54-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C98H156N34O32S2
Molecular Weight 2386.63
Exact Mass 2385.11
XLogP3 -3.086
Mr 650.248
PSA 1144.22
Sequence -
Atom number 322
Bond number 324
Ring number 2
Rotor number 108
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@@H](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)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@H](CO)N

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