Base information

Cat. No.
CAS No.134907-86-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C68H113N17O19S
Molecular Weight 1504.79
Exact Mass 1503.81
XLogP3 3.5047
Mr 389.235
PSA 619.58
Sequence -
Atom number 218
Bond number 219
Ring number 2
Rotor number 62
Residues number 0
Canonical smiles NCCCC[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)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)O)CC(C)C)[C@H](CC)C)CO)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCSC)C)CCCCN

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