Molecule structure of Magainin 1 (CAS NO.108433-99-4):
Molecular Weight of Magainin 1 (CAS NO.108433-99-4): 2409.84628 g/mol
Molecular Formula: C112H177N29O28S
XLogP3-AA: -6.3
H-Bond Donor: 32
H-Bond Acceptor: 34
Rotatable Bond Count: 84
Tautomer Count: 1001
Exact Mass: 2409.307212
MonoIsotopic Mass: 2408.303857
Topological Polar Surface Area: 914
Heavy Atom Count: 170
Complexity: 5000
Defined Atom StereoCenter Count: 20
Storage Temp.: −20 °C
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)NCC(=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(CCCCN)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)NC@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)NC@@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](CCCCN)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN
InChIKey: OFIZOVDANLLTQD-ZVNXOKPXSA-N
Product Categories of Magainin 1 (CAS NO.108433-99-4): Peptide; Antibiotic PeptidesImmune Cell Signaling and Blood; Immune System Regulation; Immunomodulators; Immunomodulators and Antibiotics; Peptides for Cell Biology
WGK Germany: 3
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