EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:46170 - N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID

Default Structure
ChEBI IDCHEBI:46170
ChEBI NameN-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC20H25N3O10S
Net Charge0
Average Mass499.498
Monoisotopic Mass499.12607
SMILES[H]OC(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]1([H])N(S(=O)(=O)c2c([H])c([H])c(C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C(=O)O[H])c([H])c2[H])C([H])([H])C([H])([H])C1([H])[H]
InChIInChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m0/s1
InChIKeySRAHBOKVSSZEHQ-LSDHHAIUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID (CHEBI:46170) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-[(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)sulfonyl]-D-prolyl-beta-alaninePDBeChem
N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACIDPDBeChem
Manual XrefsDatabases
TP4PDBeChem