Base information

Cat. No.
CAS No.592517-80-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C147H259N67O36S
Molecular Weight 3573.12
Exact Mass 3571.02
XLogP3 3.0259
Mr 922.775
PSA 1739.24
Sequence -
Atom number 510
Bond number 514
Ring number 5
Rotor number 160
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)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N

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