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CHEBI:39823 - (1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE

Default Structure
ChEBI IDCHEBI:39823
ChEBI Name(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H21BN4O5
Net Charge0
Average Mass384.201
Monoisotopic Mass384.16050
SMILES[H]/N=C(/N([H])[H])N([H])C([H])([H])[C@]([H])(OC(=O)c1c([H])nc([H])c([H])c1[H])c1c([H])c([H])c(B2OC([H])([H])[C@@]([H])(C([H])([H])O[H])O2)c([H])c1[H]
InChIInChI=1S/C18H21BN4O5/c20-18(21)23-9-16(27-17(25)13-2-1-7-22-8-13)12-3-5-14(6-4-12)19-26-11-15(10-24)28-19/h1-8,15-16,24H,9-11H2,(H4,20,21,23)/t15-,16+/m1/s1
InChIKeyHGLWHYRZHMOCMC-CVEARBPZSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE (CHEBI:39823) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATEPDBeChem
(1R)-2-carbamimidamido-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl pyridine-3-carboxylatePDBeChem
Manual XrefsDatabases
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