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Chemical structure of P-113

GC63135

P-113

Also known as (2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]hexanamide

P-113 is an antimicrobial peptide (AMP) derived from the human salivary protein histatin 5

ChemicalCAS190673-58-6MW1563.81FormulaC71H110N28O13
CAS number
190673-58-6
Molecular weight
1563.81
Formula
C71H110N28O13
Solubility
Water ： 100 mg/mL (63·95 mM; Need ultrasonic)
InChIKey
UIBPZXXSPHGPDS-GUBPWTFESA-N
Catalogue number
GC63135
Brand
GLPBIO
Computed properties PubChem CID 16158146 · XLogP -4.8 · TPSA 697 Ų · H-bond donors 26
XLogP
-4.8
TPSA
697 Ų
H-bond donors
26
H-bond acceptors
22
Rotatable bonds
55
Heavy atoms
112

SMILES C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC2=CNC=N2)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N)N

Computed descriptors from PubChem (CID 16158146), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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