Base information

Cat. No.
CAS No.222988-10-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C104H158N32O26
Molecular Weight 2272.57
Exact Mass 2271.2
XLogP3 2.7494
Mr 595.878
PSA 938.21
Sequence -
Atom number 320
Bond number 326
Ring number 7
Rotor number 87
Residues number 0
Canonical smiles CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCNC(=N)N)C(C)C)CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)N)CC(=O)O)CC(=O)N)C)Cc1ccc(cc1)O)CCCNC(=N)N)C

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