EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45709 - N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-L-alaninamide

Default Structure
ChEBI IDCHEBI:45709
ChEBI NameN-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-L-alaninamide
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC20H34N6O6S
Net Charge0
Average Mass486.595
Monoisotopic Mass486.22605
SMILES[H]OC([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])S(=O)(=O)C([H])([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H]
InChIInChI=1S/C20H34N6O6S/c1-14(18(29)25-16(12-27)8-5-10-23-20(21)22)24-19(30)17(13-28)26-33(31,32)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16-17,26-28H,5,8-13H2,1H3,(H,24,30)(H,25,29)(H4,21,22,23)/t14-,16-,17+/m0/s1
InChIKeyRWZMJXITHWDHNE-BHYGNILZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-L-alaninamide (CHEBI:45709) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylene)amino]-1-(hydroxymethyl)butyl]-L-alaninamidePDBeChem
N-[(2-phenylethyl)sulfonyl]-D-seryl-N-[(1S)-4-[(diaminomethylidene)amino]-1-(hydroxymethyl)butyl]-L-alaninamidePDBeChem
Manual XrefsDatabases
SH1PDBeChem