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CHEBI:107052 - 2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester

ChEBI IDCHEBI:107052
ChEBI Name2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC18H23N3O5S
Net Charge0
Average Mass393.465
Monoisotopic Mass393.13584
SMILESCOc1ccc(C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C)cc1
InChIInChI=1S/C18H23N3O5S/c1-11(2)26-15(22)10-14-17(24)19-8-9-21(14)18(27)20-16(23)12-4-6-13(25-3)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,19,24)(H,20,23,27)
InChIKeyPBWXEARLSDEMHR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester (CHEBI:107052) is a isopropyl ester (CHEBI:35725)
2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester (CHEBI:107052) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-18406LINCS