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Chemical structure of Temporin A

GC70009

Temporin A

Also known as (2S)-N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide

Temporin A is a short α-helical antimicrobial peptide isolated from the skin of Rana temporaria· It is effective against broad-spectrum Gram-positive bacteria· Temporin A interacts directly with microbial cell membranes and is non-toxic to red blood cells at antibacterial concentrations· Temporin A also has antifungal activity and can combat Candida albicans yeast infections

ChemicalCAS188713-69-1MW1396.76FormulaC68H117N17O14
CAS number
188713-69-1
Molecular weight
1396.76
Formula
C68H117N17O14
InChIKey
NMMAFNVBUDEZDD-VMMPLCMKSA-N
Catalogue number
GC70009
Brand
GLPBIO
Computed properties PubChem CID 9920205 · XLogP 3.3 · TPSA 494 Ų · H-bond donors 16
XLogP
3.3
TPSA
494 Ų
H-bond donors
16
H-bond acceptors
16
Rotatable bonds
44
Heavy atoms
99

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N

Computed descriptors from PubChem (CID 9920205), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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