(S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid

Base Information

• Chemical Name: (S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid
• CAS No.: 162852-62-2
• Molecular Formula: C20H27N3O8
• DSSTox Substance ID: DTXSID10431740
• Nikkaji Number: J836.358G
• Wikidata: Q82245695
• ChEMBL ID: CHEMBL418144

Synonyms:CHEMBL418144;(S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid;162852-62-2;SCHEMBL614741;DTXSID10431740;BDBM50058529;(2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]butanedioic acid;benzyloxycarbonylvalyl-alanyl-aspartic acid

Chemical Property of (S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-succinic acid

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 437.17981483
• Heavy Atom Count: 31
• Complexity: 661

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)OCC1=CC=CC=C1
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1

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