Base information

Cat. No.
CAS No.67995-68-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C132H212N42O53S4
Molecular Weight 3363.61
Exact Mass 3361.41
XLogP3 -3.061
Mr 789.53
PSA 1664.66
Sequence -
Atom number 443
Bond number 455
Ring number 14
Rotor number 101
Residues number 0
Canonical smiles NCCCCNCCCNC(=O)c1csc(n1)c1csc(n1)C(C(NC(=O)[C@H]([C@@H](O)C)NC(=O)[C@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1[nH]cnc1)O[C@H]1O[C@H](OC)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@@H](OC)[C@@H]([C@H]([C@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C)OC1O[C@@H](C)[C@H]([C@H]([C@H]1O)O)N)O.NCCCCNCCCNC(=O)CC(CCCNC(=O)c1csc(n1)c1csc(n1)C(C(NC(=O)[C@H]([C@@H](O)C)NC(=O)[C@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1[nH]cnc1)O[C@H]1O[C@H](OC)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@@H](OC)[C@@H]([C@H]([C@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C)OC1O[C@@H](C)[C@H]([C@H]([C@H]1O)O)N)O)N

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