Base information

Cat. No.
CAS No.132699-73-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C189H284N54O56S
Molecular Weight 4240.67
Exact Mass 4238.08
XLogP3 2.7875
Mr 1086.2
PSA 1805.78
Sequence -
Atom number 584
Bond number 594
Ring number 11
Rotor number 167
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)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)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)[C@H](CC)C)Cc1ccc(cc1)O)Cc1c[nH]cn1)CCCNC(=N)N)CC(C)C)C)CO)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCCNC(=N)N)C)CCSC)CC(=O)O)CCC(=O)O)C)C)CC(=O)O)CCC(=O)O)CC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)N)CO

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