Base information

Cat. No.
CAS No.116495-45-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C105H153N27O36S5
Molecular Weight 2529.82
Exact Mass 2527.96
XLogP3 1.2531
Mr 675.348
PSA 1155.45
Sequence -
Atom number 326
Bond number 331
Ring number 6
Rotor number 56
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)CCC(=O)O)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)[C@H](O)C)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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