Base information

Cat. No.
CAS No.188425-80-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C129H217N29O39
Molecular Weight 2798.27
Exact Mass 2796.59
XLogP3 8.9862
Mr 718.433
PSA 1093.67
Sequence -
Atom number 414
Bond number 414
Ring number 1
Rotor number 127
Residues number 0
Canonical smiles NCCCC[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)O)Cc1ccc(cc1)O)C)C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)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]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCC)CC(=O)O)CC(C)C)CCC(=O)O)CCC(=O)O)C)C)CO)CCCNC(=N)N)CC(=O)O)C)CCC(=O)O)CCC(=O)N

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