Base information

Cat. No.
CAS No.151804-77-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C127H205N37O40
Molecular Weight 2890.21
Exact Mass 2888.51
XLogP3 -0.3284
Mr 724.883
PSA 1275.92
Sequence -
Atom number 409
Bond number 412
Ring number 4
Rotor number 121
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)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)[C@H](O)C)CC(=O)N)CO)[C@H](O)C)CC(=O)N)[C@H](O)C)CCCNC(=N)N)Cc1ccc(cc1)O)[C@H](O)C)CCC(=O)N)CC(C)C)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](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)C)CC(C)C)CCCCN)CC(C)C)CO)CCC(=O)N)CCC(=O)O)CC(C)C)Cc1[nH]cnc1

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