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CHEBI:39559 - N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide

ChEBI IDCHEBI:39559
ChEBI NameN-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide
Stars
ASCII NameN-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide
Last Modified16 May 2008
DownloadsMolfile
FormulaC28H35N5O4S2
Net Charge0
Average Mass569.753
Monoisotopic Mass569.21305
SMILES[H]c1c([H])c([H])c(C([H])([H])S(=O)(=O)N([H])[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)N([H])c2c([H])c([H])c3nc(N([H])[H])sc3c2[H])C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c([H])c1[H]
InChIInChI=1S/C28H35N5O4S2/c29-28-31-22-14-13-21(17-25(22)38-28)30-26(34)24-12-7-15-33(24)27(35)23(16-19-8-3-1-4-9-19)32-39(36,37)18-20-10-5-2-6-11-20/h2,5-6,10-11,13-14,17,19,23-24,32H,1,3-4,7-9,12,15-16,18H2,(H2,29,31)(H,30,34)/t23-,24+/m1/s1
InChIKeyHDSAIJKTEVRQHF-RPWUZVMVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide (CHEBI:39559) is a benzothiazoles (CHEBI:37947)
N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide (CHEBI:39559) is a dipeptide (CHEBI:46761)
Synonyms  Source
N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDEPDBeChem
N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamidePDBeChem
Manual XrefsDatabases
165PDBeChem