Base information

Cat. No.
CAS No.140896-21-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C100H132N26O13
Molecular Weight 1906.28
Exact Mass 1905.05
XLogP3 11.3175
Mr 540.481
PSA 620.71
Sequence -
Atom number 271
Bond number 283
Ring number 13
Rotor number 62
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=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)CCCNC(=N)N)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)N)CC(C)C

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