Base information

Cat. No.
CAS No.20449-79-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C131H229N39O31
Molecular Weight 2846.46
Exact Mass 2844.75
XLogP3 7.5198
Mr 747.893
PSA 1152.34
Sequence -
Atom number 430
Bond number 432
Ring number 3
Rotor number 124
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)NCC(=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)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)CCC(=O)N)CCC(=O)N)CCCNC(=N)N)CCCCN)CCCNC(=N)N)CCCCN)[C@H](CC)C)Cc1c[nH]c2c1cccc2)CO)[C@H](CC)C)CC(C)C)C)CC(C)C)[C@H](O)C)[C@H](O)C)CC(C)C)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](CC)C)NC(=O)CN)C)CC(C)C

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