Base information

Cat. No.
CAS No.192871-80-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C139H216N40O42
Molecular Weight 3119.45
Exact Mass 3117.6
XLogP3 1.8495
Mr 788.582
PSA 1362.18
Sequence -
Atom number 437
Bond number 442
Ring number 6
Rotor number 129
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)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N)Cc1ccc(cc1)O)CCC(=O)N)CO)[C@H](CC)C)CCCCN)CO)CCCNC(=N)N)C)C(C)C)CC(=O)N)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)C)Cc1c[nH]cn1)CCC(=O)N)Cc1ccc(cc1)O)CCC(=O)N)Cc1ccccc1)CC(=O)O)CCCCN)CC(=O)O

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