Base information

Cat. No.
CAS No.212370-40-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C52H82N16O14
Molecular Weight 1155.31
Exact Mass 1154.62
XLogP3 2.8832
Mr 299.748
PSA 514.52
Sequence -
Atom number 164
Bond number 166
Ring number 3
Rotor number 45
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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1c[nH]c2c1cccc2)CC(=O)O)CCC(=O)N)CC(=O)N)CCCNC(=N)N)C(C)C)N

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