Base information

Cat. No.
CAS No.117442-28-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C51H79N15O9
Molecular Weight 1046.27
Exact Mass 1045.62
XLogP3 4.4004
Mr 288.459
PSA 381.83
Sequence -
Atom number 154
Bond number 158
Ring number 5
Rotor number 37
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)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1nc[nH]c1)N

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