Base information

Cat. No.
CAS No.179986-95-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C195H296N54O56
Molecular Weight 4292.76
Exact Mass 4290.2
XLogP3 4.8869
Mr 1107.45
PSA 1780.48
Sequence -
Atom number 601
Bond number 611
Ring number 11
Rotor number 170
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)NCC(=O)N[C@H](C(=O)N[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[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[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[C@H](C(=O)N[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[C@H](C(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=N)N)[C@H](O)C)CC(C)C)CC(C)C)CC(=O)N)CC(C)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCNC(=N)N)CC(C)C)CO)C)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCNC(=N)N)CC(=O)N)CC(C)C)CCC(=O)O)CCC(=O)O)CO)C)CC(=O)O)CCC(=O)O)C)CCC(=O)O)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N

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