Base information

Cat. No.
CAS No.142211-96-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C107H173N37O26S
Molecular Weight 2425.82
Exact Mass 2424.31
XLogP3 3.7578
Mr 630.151
PSA 1075.11
Sequence -
Atom number 344
Bond number 347
Ring number 4
Rotor number 105
Residues number 0
Canonical smiles CSCC[C@@H](C(=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)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC(=O)N)CC(C)C)CCCNC(=N)N)Cc1ccccc1)Cc1ccc(cc1)O)CCCNC(=N)N)C)CCCNC(=N)N)Cc1ccccc1)CO)CC(C)C)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CO

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