EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45617 - N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACID

Default Structure
ChEBI IDCHEBI:45617
ChEBI NameN-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC32H41F4N5O13P2S
Net Charge0
Average Mass873.709
Monoisotopic Mass873.18329
SMILES[H]OC(=O)C([H])([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[H])C([H])([H])S[H])C([H])([H])c1c([H])c([H])c(C(F)(F)P(=O)(O[H])O[H])c([H])c1[H])N([H])C(=O)C([H])([H])c1c([H])c([H])c(C(F)(F)P(=O)(O[H])O[H])c([H])c1[H]
InChIInChI=1S/C32H41F4N5O13P2S/c33-31(34,55(49,50)51)20-9-5-18(6-10-20)14-22(29(47)38-13-3-1-2-4-25(42)40-24(17-57)28(37)46)41-30(48)23(16-27(44)45)39-26(43)15-19-7-11-21(12-8-19)32(35,36)56(52,53)54/h5-12,22-24,57H,1-4,13-17H2,(H2,37,46)(H,38,47)(H,39,43)(H,40,42)(H,41,48)(H,44,45)(H2,49,50,51)(H2,52,53,54)/t22-,23+,24+/m0/s1
InChIKeyJNKZDIBIDJQPGC-RBZQAINGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACID (CHEBI:45617) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACIDPDBeChem
N-({4-[difluoro(phosphono)methyl]phenyl}acetyl)-L-alpha-aspartyl-N-(6-{[2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino}-6-oxohexyl)-4-[difluoro(phosphono)methyl]-L-phenylalaninamidePDBeChem
Manual XrefsDatabases
SNAPDBeChem