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CHEBI:41742 - TOMUDEX

ChEBI IDCHEBI:41742
ChEBI NameTOMUDEX
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC21H22N4O6S
Net Charge0
Average Mass458.496
Monoisotopic Mass458.12601
SMILESCc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2n1
InChIInChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
InChIKeyIVTVGDXNLFLDRM-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
TOMUDEX (CHEBI:41742) is a glutamic acid derivative (CHEBI:24315)
Synonyms  Source
TOMUDEXPDBeChem
N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)carbonyl]-L-glutamic acidPDBeChem
Manual XrefsDatabases
D16PDBeChem
LSM-5952LINCS