CHEBI:108977 - 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
ChEBI ID CHEBI:108977
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H25N3O4S
Net Charge 0
Average Mass 415.508
Monoisotopic Mass 415.15658
InChI InChI=1S/C21H25N3O4S/c1-3-28-21(27)17-12(2)18(19(22)26)29-20(17)24-16(25)11-23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,23H,3,6,8,10-11H2,1-2H3,(H2,22,26)(H,24,25)
InChIKey UPSNFRPKQDUYOE-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CNC2CCCC3=CC=CC=C23
ChEBI Ontology
Outgoing 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:108977) is a amino acid amide (CHEBI:22475)
Manual Xref Database
LSM-20375 LINCS
View more database links