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CHEBI:46374 - 4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACID

Default Structure
ChEBI IDCHEBI:46374
ChEBI Name4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H38N3O10P
Net Charge0
Average Mass571.564
Monoisotopic Mass571.22948
SMILES[H]OC(=O)C([H])([H])N(C(=O)N([H])[C@]([H])(C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])c1c([H])c([H])c(OP(=O)(O[H])O[H])c([H])c1[H]
InChIInChI=1S/C25H38N3O10P/c1-27(15-5-8-18-6-3-2-4-7-18)24(33)21(13-14-22(29)30)26-25(34)28(17-23(31)32)16-19-9-11-20(12-10-19)38-39(35,36)37/h9-12,18,21H,2-8,13-17H2,1H3,(H,26,34)(H,29,30)(H,31,32)(H2,35,36,37)/t21-/m0/s1
InChIKeyJSBQUMXQEBZYPW-NRFANRHFSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACID (CHEBI:46374) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACIDPDBeChem
N~2~-{(carboxymethyl)[4-(phosphonooxy)benzyl]carbamoyl}-N-(3-cyclohexylpropyl)-N-methyl-L-alpha-glutaminePDBeChem
Manual XrefsDatabases
UR2PDBeChem