Base information

Cat. No.
CAS No.120928-04-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C116H161N27O32S4
Molecular Weight 2573.94
Exact Mass 2572.07
XLogP3 5.1822
Mr 709.739
PSA 1048.48
Sequence -
Atom number 340
Bond number 348
Ring number 9
Rotor number 53
Residues number 0
Canonical smiles NCCCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc1ccccc1)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@H](CC)C)CC(=O)O)CC(C)C)Cc1nc[nH]c1)CC(=O)N)Cc1c[nH]c2c1cccc2

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