N-Benzoyl-Gly-His-Leu hydrate

Base Information

• Chemical Name: N-Benzoyl-Gly-His-Leu hydrate
• CAS No.: 207386-83-2
• Molecular Formula: C21H27 N5 O5 . x H2 O
• Molecular Weight: 433.50134
• DSSTox Substance ID: DTXSID90584985
• Mol file: 207386-83-2.mol

Synonyms:207386-83-2;N-Benzoyl-Gly-His-Leu hydrate;N-Hippuryl-His-Leu hydrate;HIPPURYL-HIS-LEU FREE BASE;N-Hippuryl-His-Leu (hydrate);N-Benzoyl-Gly-His-Leu xhydrate;MFCD00149318;(2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid;hydrate;211310-69-9;N-Hippuryl-L-histidyl-L-leucine hydrate;(2S)-2-[(2S)-3-(1H-IMIDAZOL-4-YL)-2-[2-(PHENYLFORMAMIDO)ACETAMIDO]PROPANAMIDO]-4-METHYLPENTANOIC ACID HYDRATE;DTXSID90584985;NWOJMNXIJBZMPK-QJHJCNPRSA-N;N-Hippuryl-His-Leu hydrate, 99%;AKOS016013172;AS-69210;C73924;A913014;N-Benzoylglycyl-L-histidyl-L-leucine--water (1/1);N-Hippuryl-His-Leu hydrate, powder, >=98% (HPLC);N-BenZoyl-Gly-His-Leu hydrate (BZ-Gly-L-His-L-Leu-OH.H2O);(S)-2-((S)-2-(2-Benzamidoacetamido)-3-(1H-imidazol-4-yl)propanamido)-4-methylpentanoic acid xhydrate

Chemical Property of N-Benzoyl-Gly-His-Leu hydrate

Chemical Property:

• Melting Point: 108-110 °C (dec.)
• PSA: 162.51000
• LogP: 1.59090
• Storage Temp.: −20°C
• Solubility.: acetic acid: ~50mg/mL
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 447.21178366
• Heavy Atom Count: 32
• Complexity: 636

Purity/Quality:

97% ^*data from raw suppliers

N-Hippuryl-L-histidyl-L-leucine Hydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=CC=C2.O
• Isomeric SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=CC=C2.O