Base information

Cat. No.
CAS No.100929-52-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C80H122N22O19
Molecular Weight 1695.96
Exact Mass 1694.93
XLogP3 5.282
Mr 454.201
PSA 664.25
Sequence -
Atom number 243
Bond number 248
Ring number 6
Rotor number 64
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N

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