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CHEBI:41514 - 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID

Default Structure
ChEBI IDCHEBI:41514
ChEBI Name2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H32N6O4
Net Charge0
Average Mass456.547
Monoisotopic Mass456.24850
SMILES[H]/N=C(\c1nc([H])c(C([H])([H])N([H])C(=O)[C@]2([H])C([H])=C([H])C([H])([H])N2C(=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])c1[H])N([H])[H]
InChIInChI=1S/C23H32N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1
InChIKeyDSEQCUGXKCOSSU-MOPGFXCFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID (CHEBI:41514) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACIDPDBeChem
N-[(1R)-2-[(2S)-2-{[(6-carbamimidoylpyridin-3-yl)methyl]carbamoyl}-2,5-dihydro-1H-pyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxoethyl]glycinePDBeChem
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