EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:746944 - cilastatin zwitterion(-)

Default Structure
ChEBI IDCHEBI:746944
ChEBI Namecilastatin zwitterion(-)
Stars
DefinitionMajor species at pH 7.3 (predicted).
Last Modified20 November 2025
SubmitterR. Stephan
DownloadsMolfile
FormulaC16H25N2O5S
Net Charge-1
Average Mass357.452
Monoisotopic Mass357.14897
SMILESCC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H]([NH3+])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 zwitterion(-) (CHEBI:746944) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate