Base information

Cat. No.
CAS No.1246357-53-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C140H228N44O46
Molecular Weight 3263.58
Exact Mass 3261.69
XLogP3 -1.7476
Mr 814.63
PSA 1462.53
Sequence -
Atom number 458
Bond number 462
Ring number 5
Rotor number 138
Residues number 0
Canonical smiles NCCCC[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)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)O)CC(C)C)Cc1[nH]cnc1)CCCNC(=N)N)CO)[C@H](O)C)CC(=O)O)CO)C(C)C)C(C)C)CO)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)CNC(=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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCC(=O)O)CC(=O)N)C)CCCCN)C)CCCCN)CC(=O)O)Cc1[nH]cnc1)C)CCC(=O)O)Cc1ccc(cc1)O

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