Base information

Cat. No.
CAS No.33512-65-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C111H175N35O21
Molecular Weight 2335.8
Exact Mass 2334.37
XLogP3 7.8122
Mr 631.428
PSA 915.23
Sequence -
Atom number 342
Bond number 349
Ring number 8
Rotor number 94
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCNC(=N)N)CCCNC(=N)N)CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)Cc1ccccc1)CCCNC(=N)N)CCCCN

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