Base information

Cat. No.
CAS No.53917-42-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C112H165N27O36
Molecular Weight 2465.67
Exact Mass 2464.19
XLogP3 1.9162
Mr 627.392
PSA 1006.02
Sequence -
Atom number 340
Bond number 345
Ring number 6
Rotor number 97
Residues number 0
Canonical smiles NCCCC[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[C@H](C(=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)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)Cc1ccccc1)CCC(=O)O)CC(C)C)Cc1ccccc1)C)CCC(=O)O)C)CO)CCC(=O)O)CC(=O)O)CCC(=O)O)C)CC(=O)N)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N

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