Base information

Cat. No.
CAS No.120972-53-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C110H159N27O34S5
Molecular Weight 2563.92
Exact Mass 2562.01
XLogP3 3.2017
Mr 695.08
PSA 1121.31
Sequence -
Atom number 335
Bond number 341
Ring number 7
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](Cc1ccc(cc1)O)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)Cc1c[nH]cn1)Cc1ccccc1

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