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Chemical structure of Bacterial Sortase Substrate III, Abz/DNP

GC35460

Bacterial Sortase Substrate III, Abz/DNP

Also known as (4S)-4-[[(2S)-1-[(2S)-2-[(2-aminobenzoyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[2-[[(2S)-1-amino-6-(2,4-dinitroanilino)-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Bacterial Sortase Substrate III, Abz/DNP is an internally quenched fluorescent peptide substrate

ChemicalCAS2857862-12-3MW928FormulaC41H57N11O14
CAS number
2857862-12-3
Molecular weight
928
Formula
C41H57N11O14
Solubility
Soluble in DMSO
InChIKey
WRZFAMJIPLOPLJ-OAFPALBKSA-N
Catalogue number
GC35460
Brand
GLPBIO
Computed properties PubChem CID 170907835 · XLogP 1.8 · TPSA 396 Ų · H-bond donors 10
XLogP
1.8
TPSA
396 Ų
H-bond donors
10
H-bond acceptors
16
Rotatable bonds
24
Heavy atoms
66

SMILES C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)C3=CC=CC=C3N)O

Computed descriptors from PubChem (CID 170907835), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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