Base information

Cat. No.
CAS No.71952-90-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C79H111N21O20S
Molecular Weight 1706.92
Exact Mass 1705.8
XLogP3 3.2542
Mr 442.721
PSA 674.35
Sequence -
Atom number 232
Bond number 237
Ring number 6
Rotor number 66
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C(C)C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)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](NC(=O)C)COC(=O)C)Cc1ccc(cc1)O)CO)CCSC)CCC(=O)O)Cc1nc[nH]c1)Cc1ccccc1)CCCNC(=N)N

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