(S)-5-(Amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide monohydrochloride

• CAT Number: L045650
• CAS Number: 21653-40-7
• Molecular Formula: C19H23ClN6O4
• Molecular Weight: 434.90
• Purity: ≥95%
• IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride
• InChI: InChI=1S/C19H22N6O4.ClH/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29;/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22);1H/t16-;/m0./s1
• InChIKey: DEOKFPFLXFNAON-NTISSMGPSA-N
• SMILES: C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl

(S)-5-(Amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide monohydrochloride（Cat No.:L045650）is a synthetic peptide-like molecule with a chiral center, combining amidine, benzoylamino, and nitrophenyl functional groups. This compound is often explored as a protease inhibitor or enzyme modulator due to its structural similarity to peptide substrates. The amidino group enhances binding to active sites of serine or trypsin-like proteases, while the nitrophenyl moiety contributes to electron-withdrawing effects and potential spectroscopic properties. Its monohydrochloride form improves solubility and handling, making it suitable for biochemical assays, drug discovery research, or structure–activity relationship studies in medicinal chemistry.