Molecule structure of Magainin II (CAS NO.108433-95-0):
Molecular Weight: 2466.8976 g/mol
Molecular Formula: C114H180N30O29S
XLogP3-AA: -7.4
H-Bond Donor: 33
H-Bond Acceptor: 35
Rotatable Bond Count: 86
Tautomer Count: 1001
Exact Mass: 2466.328676
MonoIsotopic Mass: 2465.325321
Topological Polar Surface Area: 957
Heavy Atom Count: 174
Complexity: 5180
Defined Atom StereoCenter Count: 21
Canonical SMILES: CCC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)C(CC2=CN=CN2)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)O)NC(=O)CN
Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN
InChIKey: MGIUUAHJVPPFEV-ABXDCCGRSA-N
Product Categories of Magainin II (CAS NO.108433-95-0): Peptide; Immunomodulators and AntibioticsAntibiotics; Antibiotic PeptidesImmune Cell Signaling and Blood; Chemical Structure Class; Immune System Regulation; Immunomodulators; Interferes with Cell Membrane Permeability (Ionophores)Antibiotics; Mechanism of Action;Peptides; Peptides for Cell Biology
Storage Temp.: −20 °C
WGK Germany: 3
Magainin II (CAS NO.108433-95-0) is also named as Magainin 2 ; Mag-2 ; Magainin-2 ; Z-12 Peptide ; Magainin I, 10-L-lysine-22-L-asparagine- .
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