Base information

Cat. No.
CAS No.137181-56-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C85H144N26O28S
Molecular Weight 2010.28
Exact Mass 2009.04
XLogP3 -1.1842
Mr 511.455
PSA 909.59
Sequence -
Atom number 284
Bond number 287
Ring number 4
Rotor number 82
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=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)CC(=O)O)[C@H](O)C)CCC(=O)N)CCSC)CCCCN)CC(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)C)CCC(=O)N)CO)CCCCN)CO

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