Base information

Cat. No.
CAS No.217082-57-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C96H156N34O20S
Molecular Weight 2138.55
Exact Mass 2137.2
XLogP3 4.5847
Mr 568.754
PSA 919.49
Sequence -
Atom number 307
Bond number 312
Ring number 6
Rotor number 89
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)Cc1ccccc1)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)CO)Cc1nc[nH]c1

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