Base information

Cat. No.
CAS No.172485-26-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C146H260N52O32
Molecular Weight 3255.96
Exact Mass 3254.03
XLogP3 9.0109
Mr 858.121
PSA 1387.93
Sequence -
Atom number 490
Bond number 492
Ring number 3
Rotor number 147
Residues number 0
Canonical smiles NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)C)[C@H](CC)C)CCCNC(=N)N)[C@H](CC)C)[C@H](CC)C)CCCNC(=N)N)CC(C)C)C(C)C)[C@H](O)C)Cc1ccc(cc1)O)CCCCN)NC(=O)[C@H](C(C)C)NC(=O)CNC(=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)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)CCCCN)C)Cc1nc[nH]c1

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