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CHEBI:123296 - 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester

ChEBI IDCHEBI:123296
ChEBI Name2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC27H29N3O6S
Net Charge0
Average Mass523.611
Monoisotopic Mass523.17771
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C27H29N3O6S/c1-19-13-20(2)15-23(14-19)27(33)28-17-26(32)36-18-25(31)29-9-11-30(12-10-29)37(34,35)24-8-7-21-5-3-4-6-22(21)16-24/h3-8,13-16H,9-12,17-18H2,1-2H3,(H,28,33)
InChIKeyNWXUUVZWNJIURR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester (CHEBI:123296) is a depsipeptide (CHEBI:23643)
Manual XrefsDatabases
LSM-34738LINCS