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CHEBI:44207 - N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE

Default Structure
ChEBI IDCHEBI:44207
ChEBI NameN-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H34N6O4
Net Charge0
Average Mass446.552
Monoisotopic Mass446.26415
SMILES[H]/N=C(\c1nc([H])c(C([H])([H])N([H])C(=O)[C@@]([H])(N(C(=O)[C@]([H])(N([H])C([H])([H])C(=O)O[H])C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C22H34N6O4/c1-14(21(31)27-12-16-8-9-17(20(23)24)25-11-16)28(2)22(32)18(26-13-19(29)30)10-15-6-4-3-5-7-15/h8-9,11,14-15,18,26H,3-7,10,12-13H2,1-2H3,(H3,23,24)(H,27,31)(H,29,30)/t14-,18+/m0/s1
InChIKeyXVBUQSSETBYPJB-KBXCAEBGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE (CHEBI:44207) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDEPDBeChem
N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(6-carbamimidoylpyridin-3-yl)methyl]-N~2~-methyl-L-alaninamidePDBeChem
Manual XrefsDatabases
NA9PDBeChem