Base information

Cat. No.
CAS No.143868-20-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C138H199N35O30
Molecular Weight 2828.27
Exact Mass 2826.51
XLogP3 8.1718
Mr 755.649
PSA 1037.29
Sequence -
Atom number 402
Bond number 412
Ring number 11
Rotor number 106
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)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)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCC(=O)N)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)CCCNC(=N)N

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