Base information

Cat. No.
CAS No.211426-18-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C103H157N25O29
Molecular Weight 2209.5
Exact Mass 2208.16
XLogP3 2.2827
Mr 570.461
PSA 837.54
Sequence -
Atom number 314
Bond number 319
Ring number 6
Rotor number 84
Residues number 0
Canonical smiles OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)C(C)C)Cc1c[nH]cn1)CC(C)C)[C@H](CC)C)[C@H](O)C)CC(=O)N)Cc1c[nH]cn1)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)CNC(=O)[C@H](CO)N

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