Base information

Cat. No.
CAS No.141923-36-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C81H119N21O22
Molecular Weight 1738.94
Exact Mass 1737.88
XLogP3 2.9827
Mr 451.194
PSA 718.99
Sequence -
Atom number 243
Bond number 247
Ring number 5
Rotor number 67
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)Cc1ccccc1)CC(C)C)CC(C)C)CCCNC(=N)N)CC(=O)N)CC(=O)N)CC(=O)O

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