CHEBI:108049 - 2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid (phenylmethyl) ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid (phenylmethyl) ester
ChEBI ID CHEBI:108049
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H20N4O4
Net Charge 0
Average Mass 392.409
Monoisotopic Mass 392.14846
InChI InChI=1S/C21H20N4O4/c1-14-6-5-9-16(10-14)25-21(28)19-18(23-13-24-19)20(27)22-11-17(26)29-12-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,22,27)(H,23,24)(H,25,28)
InChIKey NRFCCJOWINZJFI-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)NCC(=O)OCC3=CC=CC=C3
ChEBI Ontology
Outgoing 2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid (phenylmethyl) ester (CHEBI:108049) is a aromatic amide (CHEBI:62733)
Manual Xref Database
LSM-19426 LINCS
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