Base information

Cat. No.
CAS No.249537-73-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C75H118N20O22S
Molecular Weight 1683.93
Exact Mass 1682.85
XLogP3 0.8757
Mr 434.549
PSA 650.94
Sequence -
Atom number 236
Bond number 240
Ring number 5
Rotor number 63
Residues number 0
Canonical smiles CSCC[C@@H](C(=O)N[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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CCC(=O)O)Cc1nc[nH]c1)[C@H](O)C)[C@H](CC)C)C(C)C)[C@H](CC)C)C(C)C)Cc1nc[nH]c1)C)N

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