Base information

Cat. No.
CAS No.433922-67-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C111H149N27O28
Molecular Weight 2309.53
Exact Mass 2308.11
XLogP3 5.6252
Mr 606.411
PSA 883.21
Sequence -
Atom number 315
Bond number 324
Ring number 10
Rotor number 86
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CN)Cc1ccc(cc1)O)CO)CCCNC(=N)N)CCC(=O)N

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