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

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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
ChEBI ID CHEBI:113057
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:534594
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Formula C19H20N4O5
Net Charge 0
Average Mass 384.387
Monoisotopic Mass 384.14337
InChI InChI=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
InChIKey IWVSPGRPNPWQGN-HIFPTAJRSA-N
SMILES C[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)N3C(=O)C4CCCCC4C3=O
ChEBI Ontology
Outgoing (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)
Manual Xref Database
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