Base information

Cat. No.
CAS No.227803-63-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C42H64N12O11
Molecular Weight 913.031
Exact Mass 912.482
XLogP3 2.4853
Mr 239.144
PSA 379.74
Sequence -
Atom number 129
Bond number 131
Ring number 3
Rotor number 33
Residues number 0
Canonical smiles CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)[C@H](CC)C)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCN=C(N)N

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