CHEBI:105734 - 4-[[3-[anilino(oxo)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid

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ChEBI Name 4-[[3-[anilino(oxo)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid ChEBI ID CHEBI:105734 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H22N2O4S Net Charge 0 Average Mass 386.467 Monoisotopic Mass 386.13003 InChI InChI=1S/C20H22N2O4S/c23-16(11-12-17(24)25)22-20-18(14-9-5-2-6-10-15(14)27-20)19(26)21-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,21,26)(H,22,23)(H,24,25) InChIKey ITRHUIJAZOOGTM-UHFFFAOYSA-N SMILES C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCC(=O)O ChEBI Ontology Outgoing 4-[[3-[anilino(oxo)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid (CHEBI:105734) is a aromatic amide (CHEBI:62733) Manual Xref Database LSM-17096 LINCS View more database links