Base information

Cat. No.
CAS No.222018-18-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C115H184N30O24
Molecular Weight 2370.88
Exact Mass 2369.41
XLogP3 12.2218
Mr 642.033
PSA 902.79
Sequence -
Atom number 353
Bond number 358
Ring number 6
Rotor number 103
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)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)CC(=O)N)[C@H](CC)C)CCCCN)CCC(=O)O)CCC(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CCCCCCCCCCCCCCCCC)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N

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