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CHEBI:42568 - 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER

Default Structure
ChEBI IDCHEBI:42568
ChEBI Name2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H30N4O3
Net Charge0
Average Mass446.551
Monoisotopic Mass446.23179
SMILES[H]/N=C(\N([H])[H])N1C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])C(=O)N([H])[C@]([H])(C(=O)OC([H])([H])[H])C([H])([H])c2c([H])c([H])c(C#Cc3c([H])c([H])c([H])c([H])c3[H])c([H])c2[H])C1([H])[H]
InChIInChI=1S/C26H30N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)/t22-,23+/m1/s1
InChIKeyMRNGXYMKYHNMLV-PKTZIBPZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER (CHEBI:42568) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTERPDBeChem
methyl N-{[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}-4-(phenylethynyl)-L-phenylalaninatePDBeChem
Manual XrefsDatabases
FRGPDBeChem