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

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ChEBI Name N-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid
ChEBI ID CHEBI:46068
ChEBI ASCII Name N-[4-(D-prolinosulfonyl)benzoyl]-L-glutamic acid
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C17H20N2O9S
C17H20N2O9S
Net Charge 0
Average Mass 428.415
Monoisotopic Mass 428.08895
InChI InChI=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
InChIKey NDDOUBGQRWFVQM-QWHCGFSZSA-N
SMILES C(C(O)=O)C[C@@H](C(=O)O)NC(C1=CC=C(C=C1)S(N2CCC[C@@H]2C(=O)O)(=O)=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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-PROLINE PDBeChem
Manual Xref Database
TP3 PDBeChem
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Last Modified
28 January 2016