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CHEBI:49447 - N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine

Default Structure
ChEBI IDCHEBI:49447
ChEBI NameN-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine
Stars
Last Modified2 December 2009
DownloadsMolfile
FormulaC28H31NO6S
Net Charge0
Average Mass509.624
Monoisotopic Mass509.18721
SMILES[H]OC(=O)[C@]([H])(N([H])S(=O)(=O)c1c([H])c([H])c(-c2c([H])c([H])c(C([H])([H])Oc3c([H])c([H])c(C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c3[H])c([H])c2[H])c([H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C28H31NO6S/c1-18(2)26(28(31)32)29-36(33,34)25-15-11-22(12-16-25)21-7-5-20(6-8-21)17-35-24-13-9-23(10-14-24)27(30)19(3)4/h5-16,18-19,26,29H,17H2,1-4H3,(H,31,32)/t26-/m1/s1
InChIKeyJGTIIKHYSZFICL-AREMUKBSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine (CHEBI:49447) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-[(4'-{[4-(2-methylpropanoyl)phenoxy]methyl}biphenyl-4-yl)sulfonyl]-D-valinePDBeChem
N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valinePDBeChem
Manual XrefsDatabases
886PDBeChem