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CHEBI:40026 - N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE

Default Structure
ChEBI IDCHEBI:40026
ChEBI NameN-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H33N5O4S
Net Charge0
Average Mass463.604
Monoisotopic Mass463.22533
SMILES[H]/N=C(\c1sc(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])c([H])c1[H])N([H])[H]
InChIInChI=1S/C22H33N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h8-9,14,16-17,25H,1-7,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1
InChIKeyWWADFOUMUCMPEO-SJORKVTESA-N
ChEBI Ontology
Outgoing Relation(s)
N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE (CHEBI:40026) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-(carboxymethyl)-3-cyclohexyl-D-alanyl-N-[(5-carbamimidoylthiophen-2-yl)methyl]-L-prolinamidePDBeChem
N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDEPDBeChem
Manual XrefsDatabases
3SPPDBeChem