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CHEBI:113057 - (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester

ChEBI IDCHEBI:113057
ChEBI Name(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
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DownloadsMolfile
FormulaC19H20N4O5
Net Charge0
Average Mass384.392
Monoisotopic Mass384.14337
SMILESC[C@@H](C(=O)OCn1nnc2ccccc2c1=O)N1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C19H20N4O5/c1-11(23-17(25)12-6-2-3-7-13(12)18(23)26)19(27)28-10-22-16(24)14-8-4-5-9-15(14)20-21-22/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3/t11-,12?,13?/m0/s1
InChIKeyIWVSPGRPNPWQGN-HIFPTAJRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester (CHEBI:113057) is a α-amino acid ester (CHEBI:46874)
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