Base information

Cat. No.
CAS No.165174-61-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C102H152N26O29
Molecular Weight 2206.46
Exact Mass 2205.12
XLogP3 3.5811
Mr 561.541
PSA 891.11
Sequence -
Atom number 309
Bond number 313
Ring number 5
Rotor number 92
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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)C)Cc1c[nH]c2c1cccc2)CCCC)CCCCN)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=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](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CN)C)Cc1ccc(cc1)O)CC(C)C)CCC(=O)N)C)CO)CCC(=O)O

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