Base information

Cat. No.
CAS No.121282-17-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C45H64N14O11
Molecular Weight 977.077
Exact Mass 976.488
XLogP3 5.9447
Mr 264.878
PSA 390.26
Sequence -
Atom number 134
Bond number 137
Ring number 4
Rotor number 33
Residues number 0
Canonical smiles CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N)CCCNC(=N)N)C)Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC(C)C)C

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