Base information

Cat. No.
CAS No.186319-72-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C90H130N28O29
Molecular Weight 2068.17
Exact Mass 2066.96
XLogP3 0.4722
Mr 510.162
PSA 935.63
Sequence -
Atom number 277
Bond number 281
Ring number 5
Rotor number 85
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=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)[C@H](CC(=O)O)N)C)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N)Cc1nc[nH]c1)CC(=O)O)CO)CCC(=O)O)Cc1nc[nH]c1)Cc1nc[nH]c1)CCC(=O)N

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