CHEBI:181711 - [3-hydroxy-4-[3-methoxy-3-oxo-2-(4-oxoquinazolin-3-yl)propyl]-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl] 2-methylpropanoate

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ChEBI Name [3-hydroxy-4-[3-methoxy-3-oxo-2-(4-oxoquinazolin-3-yl)propyl]-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl] 2-methylpropanoate
ChEBI ID CHEBI:181711
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H30N4O7
Net Charge 0
Average Mass 534.569
Monoisotopic Mass 534.21145
InChI InChI=1S/C28H30N4O7/c1-16(2)23(34)39-28(18-11-7-9-13-20(18)31-25(28)32(37)27(3,4)26(31)36)14-21(24(35)38-5)30-15-29-19-12-8-6-10-17(19)22(30)33/h6-13,15-16,21,25,37H,14H2,1-5H3
InChIKey JBGBTPGEYVDMRV-UHFFFAOYSA-N
SMILES O(C1(C2N(C=3C1=CC=CC3)C(=O)C(N2O)(C)C)CC(N4C(=O)C=5C(N=C4)=CC=CC5)C(OC)=O)C(=O)C(C)C
ChEBI Ontology
Outgoing [3-hydroxy-4-[3-methoxy-3-oxo-2-(4-oxoquinazolin-3-yl)propyl]-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl] 2-methylpropanoate (CHEBI:181711) is a α-amino acid ester (CHEBI:46874)
IUPAC Name
[3-hydroxy-4-[3-methoxy-3-oxo-2-(4-oxoquinazolin-3-yl)propyl]-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl] 2-methylpropanoate