[DOI] [PMC free article] [PubMed] [Google Scholar] 1036
Also known as: 307297-39-8, Epithalon, Epithalone, Ala-glu-asp-gly, Glycine, l-alanyl-l-alpha-glutamyl-l-alpha-aspartyl-, O65p17785g Molecular Formula C 14 H 22 N 4 O 9 Molecular Weight 390.35 g/mol InChI Key HGHOBRRUMWJWCU-FXQIFTODSA-N 1 2D Structure 2 Identification 2.1 Computed Descriptors 2.1.1 IUPAC Name (4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(2S)-3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid 2.1.2 InChI InChI=1S/C14H22N4O9/c1-6(15)12(25)17-7(2-3-9(19)20)14(27)18-8(4-10(21)22)13(26)16-5-11(23)24/h6-8H,2-5,15H2,1H3,(H,16,26)(H,17,25)(H,18,27)(H,19,20)(H,21,22)(H,23,24)/t6-,7-,8-/m0/s1 2.1.3 InChI Key HGHOBRRUMWJWCU-FXQIFTODSA-N 2.1.4 Canonical SMILES CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)N 2.1.5 Isomeric SMILES C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)N 2.2 Other Identifiers 2.2.1 UNII 2.3 Synonyms 2.3.1 MeSH Synonyms 1
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