Base information

Cat. No.
CAS No.291524-04-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C139H158N43O39S
Molecular Weight 3087.07
Exact Mass 3085.14
XLogP3 -5.8082
Mr 748.736
PSA 1239.05
Sequence -
Atom number 380
Bond number 382
Ring number 3
Rotor number 137
Residues number 0
Canonical smiles N[C][C][C][C]C(C(=O)[N]C(C(=O)[N]C(C(=O)[N]C(C(=O)NC(C(=O)[N]C(C(=O)NC(C(=O)[N][C](C(=O)[N]C(C(=O)[N]C(C(=O)N[C](C(=O)[N]C(C(=O)[N]C(C(=O)[N][C](C(=O)N)C)[C]C(C)C)C([CH]C)C)CO)[C]C(=O)N)[C]C(C)C)C)[C][C][C][C]N)[CH][C][C][C]N)C(C)C)C)[C][C]SC)[C][C]C(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C](NC(=O)C([N]C(=O)C([N]C(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)[C](NC(=O)C(NC(=O)C([C]c1[nH]cnc1)N)CO)CC(=O)O)C)[C]c1ccccc1)CC(=O)O)CC(=O)N)[CH]c1ccc(cc1)O)C)C[C][C][N]C(=N)N)[C]C(C)C)[C][C][C]NC(=N)N

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