Base information

Cat. No.
CAS No.134940-98-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C154H248N36O45
Molecular Weight 3323.83
Exact Mass 3321.82
XLogP3 1.3817
Mr 853.04
PSA 1271.21
Sequence -
Atom number 483
Bond number 487
Ring number 5
Rotor number 140
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)N[C@H](C(=O)NCC(=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)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CCC(=O)N)CO)CO)CO)CC(C)C)C)CO)C(C)C)C)CO)CC(C)C)CC(C)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)Cc1ccccc1)C)CC(C)C)CCCCN)CO)CO)CC(C)C)Cc1ccccc1

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