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CHEBI:47345 - [1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-PROPYL ESTER

Default Structure
ChEBI IDCHEBI:47345
ChEBI Name[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-PROPYL ESTER
Stars
DownloadsMolfile
FormulaC28H36Cl2F3N6O8P
Net Charge0
Average Mass743.504
Monoisotopic Mass742.16614
SMILES[H]OC([H])([H])[C@@]([H])(N([H])C(=O)C([H])(Cl)Cl)[C@@]([H])(O[P@](=O)(N(C(=O)N([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])c1c([H])c([H])c(N([H])C(=O)C(F)(F)F)c([H])c1[H])c1c([H])c([H])c([N+](=O)[O-])c([H])c1[H]
InChIInChI=1S/C28H36Cl2F3N6O8P/c1-4-34-27(43)38(15-5-14-37(2)3)48(46,17-18-6-10-20(11-7-18)35-26(42)28(31,32)33)47-23(22(16-40)36-25(41)24(29)30)19-8-12-21(13-9-19)39(44)45/h6-13,22-24,40H,4-5,14-17H2,1-3H3,(H,34,43)(H,35,42)(H,36,41)/t22-,23+,48+/m1/s1
InChIKeySITLNJAUKLVJOA-CTQJRONWSA-N
ChEBI Ontology
Outgoing Relation(s)
[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-PROPYL ESTER (CHEBI:47345) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-PROPYL ESTERPDBeChem
(1S,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl (S)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-P-{4-[(trifluoroacetyl)amino]benzyl}phosphonamidoatePDBeChem
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