Base information

Cat. No.
CAS No.154444-98-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C52H83N21O28
Molecular Weight 1450.34
Exact Mass 1449.57
XLogP3 -4.571
Mr 330.44
PSA 850.45
Sequence -
Atom number 184
Bond number 183
Ring number 0
Rotor number 64
Residues number 0
Canonical smiles OC[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(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)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)CCCNC(=N)N)C)CC(=O)O)CC(=O)O

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