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CHEBI:43925 - (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID

Default Structure
ChEBI IDCHEBI:43925
ChEBI Name(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID
Stars
DownloadsMolfile
FormulaC19H19N5O3S2
Net Charge0
Average Mass429.527
Monoisotopic Mass429.09293
SMILES[H]OC(=O)/C(=N\C(=O)[C@@]([H])(C([H])([H])S[H])C([H])([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])c1sc(C([H])([H])n2nnnc2[H])c([H])c1[H]
InChIInChI=1S/C19H19N5O3S2/c25-18(14(11-28)7-6-13-4-2-1-3-5-13)21-17(19(26)27)16-9-8-15(29-16)10-24-12-20-22-23-24/h1-5,8-9,12,14,28H,6-7,10-11H2,(H,26,27)/b21-17-/t14-/m1/s1
InChIKeyDUKDFMPUZRDWLT-GICLCMKGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID (CHEBI:43925) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2E)-{[(2S)-2-(mercaptomethyl)-4-phenylbutanoyl]imino}[5-(1H-tetrazol-1-ylmethyl)thien-2-yl]acetic acidPDBeChem
(2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACIDPDBeChem
Manual XrefsDatabases
MCIPDBeChem