(2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid

Base Information

• Chemical Name: (2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid
• CAS No.: 174393-13-6
• Molecular Formula: C21H25 N O4
• UNII: ZU8PFA9K8G
• DSSTox Substance ID: DTXSID401028586
• Nikkaji Number: J720.810C
• Wikipedia: LY-307,452
• Wikidata: Q12745733
• ChEMBL ID: CHEMBL39338

Synonyms:LY307452;LY-307,452;ZU8PFA9K8G;174393-13-6;(2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid;UNII-ZU8PFA9K8G;(4S)-4-(4,4-Diphenylbutyl)-L-glutamic acid;CHEMBL39338;LY-307452;L-Glutamic acid, 4-(4,4-diphenylbutyl)-, threo-;L-Glutamic acid, 4-(4,4-diphenylbutyl)-, (4S)-;LY 307452;D0OV2V;GTPL3350;SCHEMBL4257120;DTXSID401028586;BDBM50049748;PDSP1_000257;PDSP2_000256;AKOS040748842;CID 6324634;2-Amino-4-(4,4-diphenyl-butyl)-pentanedioic acid;Q12745733;(2S,4S)-2-Amino-4-(4,4-diphenyl-butyl)-pentanedioic acid;(2s,4s)-2-amino-4-(4,4-di-phenylbut-1-yl)-pentane-1,5-dioic acid

Chemical Property of (2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 355.17835828
• Heavy Atom Count: 26
• Complexity: 423

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCCC(CC(C(=O)O)N)C(=O)O)C2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)C(CCC[C@@H](C[C@@H](C(=O)O)N)C(=O)O)C2=CC=CC=C2

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