Base information

Cat. No.
CAS No.383415-89-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C119H183N35O29S
Molecular Weight 2600.01
Exact Mass 2598.36
XLogP3 4.2099
Mr 676.189
PSA 1044.15
Sequence -
Atom number 367
Bond number 373
Ring number 7
Rotor number 104
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)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)NCC(=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)NCC(=O)N[C@H](C(=O)O)CC(C)C)CCSC)CC(C)C)CC(C)C)CO)C)CCCNC(=N)N)C(C)C)[C@H](O)C)Cc1c[nH]cn1)Cc1ccc(cc1)O)CCCNC(=N)N)CO)C)C(C)C)Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N

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