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CHEBI:46068 - N-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid

ChEBI IDCHEBI:46068
ChEBI NameN-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid
Stars
ASCII NameN-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid
Last Modified28 January 2016
DownloadsMolfile
FormulaC17H20N2O9S
Net Charge0
Average Mass428.419
Monoisotopic Mass428.08895
SMILESO=C(O)CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1)C(=O)O
InChIInChI=1S/C17H20N2O9S/c20-14(21)8-7-12(16(23)24)18-15(22)10-3-5-11(6-4-10)29(27,28)19-9-1-2-13(19)17(25)26/h3-6,12-13H,1-2,7-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1
InChIKeyNDDOUBGQRWFVQM-QWHCGFSZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid (CHEBI:46068) is a N-acyl-L-glutamic acid (CHEBI:21650)
N-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid (CHEBI:46068) is a N-acylpyrrolidine (CHEBI:46766)
N-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid (CHEBI:46068) is a D-proline derivative (CHEBI:84185)
N-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid (CHEBI:46068) is a pyrrolidinemonocarboxylic acid (CHEBI:46701)
N-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid (CHEBI:46068) is a sulfonamide (CHEBI:35358)
Synonym  Source
4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINEPDBeChem
Manual XrefsDatabases
TP3PDBeChem