Base information

Cat. No.
CAS No.11097-48-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C153H259N49O52
Molecular Weight 3616.99
Exact Mass 3614.91
XLogP3 0.0205
Mr 900.732
PSA 1646.18
Sequence -
Atom number 513
Bond number 514
Ring number 2
Rotor number 162
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](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=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)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=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](C(C)C)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)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)CCC(=O)O)C)CCC(=O)O)CC(=O)O)CC(C)C)CCC(=O)N)CCC(=O)N)CCC(=O)O)CC(C)C)C)CO)CC(C)C)CCC(=O)N)CC(C)C)C)CC(C)C)CCC(=O)O)CO)CC(C)C)CCC(=O)N

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