Base information

Cat. No.
CAS No.28152-90-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C142H239N47O46
Molecular Weight 3340.7
Exact Mass 3338.78
XLogP3 0.8106
Mr 839.651
PSA 1501.43
Sequence -
Atom number 474
Bond number 476
Ring number 3
Rotor number 147
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)CCC(=O)O)C)CCC(=O)O)CC(=O)N)CCC(=O)N)C)C)CCC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCC(=O)N)C)CC(C)C)C)CC(C)C)CCC(=O)O)CCC(=O)N

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