Base information

Cat. No.
CAS No.111929-26-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C60H87N19O14
Molecular Weight 1298.45
Exact Mass 1297.67
XLogP3 0.7423
Mr 343.539
PSA 554.03
Sequence -
Atom number 180
Bond number 184
Ring number 5
Rotor number 48
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)O)CCCNC(=N)N)Cc1ccccc1)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](CCCNC(=N)N)N)CCCNC(=N)N)O)O

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