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CHEBI:41302 - 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER

Default Structure
ChEBI IDCHEBI:41302
ChEBI Name3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER
Stars
DownloadsMolfile
FormulaC27H29N7O3
Net Charge0
Average Mass499.575
Monoisotopic Mass499.23319
SMILES[H]/N=C(/c1c([H])c([H])c(N([H])C([H])([H])c2nc3c([H])c(C(=O)N(c4nc([H])c([H])c([H])c4[H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])c([H])c([H])c3n2C([H])([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C27H29N7O3/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)
InChIKeyBGLLICFSSKPUMR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER (CHEBI:41302) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTERPDBeChem
ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninatePDBeChem
Manual XrefsDatabases
C24PDBeChem