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CHEBI:39894 - N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-L-prolinamide

ChEBI IDCHEBI:39894
ChEBI NameN-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-L-prolinamide
Stars
ASCII NameN-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-L-prolinamide
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H32N6O4S
Net Charge0
Average Mass464.592
Monoisotopic Mass464.22057
SMILES[H]/N=C(/c1nc(C([H])([H])N([H])C(=O)[C@@]2([H])N(C(=O)[C@]([H])(N([H])C([H])([H])C(=O)O[H])C([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2([H])[H])sc1[H])N([H])[H]
InChIInChI=1S/C21H32N6O4S/c22-19(23)15-12-32-17(26-15)10-25-20(30)16-7-4-8-27(16)21(31)14(24-11-18(28)29)9-13-5-2-1-3-6-13/h12-14,16,24H,1-11H2,(H3,22,23)(H,25,30)(H,28,29)/t14-,16+/m1/s1
InChIKeyMIEXIWNUQBMNML-ZBFHGGJFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-L-prolinamide (CHEBI:39894) is a 1,3-thiazoles (CHEBI:38418)
N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-L-prolinamide (CHEBI:39894) is a carboxamidine (CHEBI:35359)
N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-L-prolinamide (CHEBI:39894) is a dipeptide (CHEBI:46761)
Synonyms  Source
N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDEPDBeChem
N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(4-carbamimidoyl-1,3-thiazol-2-yl)methyl]-L-prolinamidePDBeChem
Manual XrefsDatabases
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