(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid

Base Information

• Chemical Name: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
• CAS No.: 401913-54-0
• Molecular Formula: C19H34N4O5
• Molecular Weight: 398.49700
• DSSTox Substance ID: DTXSID50436976
• Nikkaji Number: J1.948.892F
• Wikidata: Q76415304
• ChEMBL ID: CHEMBL234346
• Mol file: 401913-54-0.mol

Synonyms:1oxq;401913-54-0;CHEMBL234346;DTXSID50436976

Chemical Property of (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid

Chemical Property:

• PSA: 148.81000
• LogP: 2.39970
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 398.25292020
• Heavy Atom Count: 28
• Complexity: 595

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N

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