Base information

Cat. No.
CAS No.126738-34-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C105H156N28O34S5
Molecular Weight 2514.85
Exact Mass 2512.99
XLogP3 1.8291
Mr 676.284
PSA 1144.17
Sequence -
Atom number 328
Bond number 333
Ring number 6
Rotor number 57
Residues number 0
Canonical smiles NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCSC)[C@H](O)C)CC(=O)O)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CO)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)C(C)C)CC(=O)O)CCC(=O)N)Cc1nc[nH]c1)Cc1ccccc1

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