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CHEBI:45947 - [2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA

Default Structure
ChEBI IDCHEBI:45947
ChEBI Name[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA
Stars
DownloadsMolfile
FormulaC19H28N2O4S
Net Charge0
Average Mass380.510
Monoisotopic Mass380.17698
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(S[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])[H]
InChIInChI=1S/C19H28N2O4S/c1-3-4-6-11-16(26)18(23)21-15(12-14-9-7-5-8-10-14)17(22)20-13(2)19(24)25/h5,7-10,13,15-16,26H,3-4,6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15-,16-/m0/s1
InChIKeyGOIYKVXXGCPHQU-BPUTZDHNSA-N
ChEBI Ontology
Outgoing Relation(s)
[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALA (CHEBI:45947) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-ALAPDBeChem
N-[(2S)-2-sulfanylheptanoyl]-L-phenylalanyl-L-alaninePDBeChem
Manual XrefsDatabases
TI1PDBeChem