Base information

Cat. No.
CAS No.1404188-93-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C115H185N43O29
Molecular Weight 2633.97
Exact Mass 2632.43
XLogP3 5.6997
Mr 677.41
PSA 1270.08
Sequence -
Atom number 372
Bond number 375
Ring number 4
Rotor number 117
Residues number 0
Canonical smiles NCCCC[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)N[C@H](C(=O)NCC(=O)O)Cc1ccc(cc1)O)C(C)C)CC(=O)N)Cc1ccc(cc1)O)CCC(=O)O)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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCCNC(=N)N)CCCCN)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc(cc1)O

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