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CHEBI:59512 - cilastatin(1−)

ChEBI IDCHEBI:59512
ChEBI Namecilastatin(1−)
Stars
ASCII Namecilastatin(1-)
DefinitionThe anion resulting from the removal of a proton from a carboxylic acid group of cilastatin.
Last Modified18 May 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H25N2O5S
Net Charge-1
Average Mass357.452
Monoisotopic Mass357.14897
SMILESCC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)[O-])C(=O)O
InChIInChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/p-1/b12-6-/t10-,11+/m1/s1
InChIKeyDHSUYTOATWAVLW-WFVMDLQDSA-M
ChEBI Ontology
Outgoing Relation(s)
cilastatin(1−) (CHEBI:59512) is a dicarboxylic acid monoanion (CHEBI:35695)
cilastatin(1−) (CHEBI:59512) is conjugate base of cilastatin (CHEBI:3697)
Incoming Relation(s)
cilastatin sodium (CHEBI:59511) has part cilastatin(1−) (CHEBI:59512)
cilastatin (CHEBI:3697) is conjugate acid of cilastatin(1−) (CHEBI:59512)
IUPAC Name 
(2R)-2-amino-3-{[(5Z)-6-carboxy-6-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hex-5-en-1-yl]sulfanyl}propanoate
Synonyms  Source
cilastatin anionChEBI
(2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoateIUPAC
Registry NumbersSources
Beilstein:8168990Beilstein