Base information

Cat. No.
CAS No.139570-93-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C91H117N19O26
Molecular Weight 1893.01
Exact Mass 1891.84
XLogP3 3.5898
Mr 488.084
PSA 713.37
Sequence -
Atom number 253
Bond number 263
Ring number 11
Rotor number 58
Residues number 0
Canonical smiles OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)CCCNC(=N)N)CC(C)C)CCCCNC(=O)CCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1[nH]cnc1

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