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CHEBI:39910 - 3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE

Default Structure
ChEBI IDCHEBI:39910
ChEBI Name3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE
Stars
Last Modified28 August 2015
DownloadsMolfile
FormulaC21H21N3O5S
Net Charge0
Average Mass427.482
Monoisotopic Mass427.12019
SMILES[H]/N=C(/c1c([H])c([H])c2c([H])c([H])c([H])c(N([H])C(=O)c3c([H])c([H])c([H])c(S(=O)(=O)OC([H])([H])C([H])([H])C([H])([H])O[H])c3[H])c2c1[H])N([H])[H]
InChIInChI=1S/C21H21N3O5S/c22-20(23)15-9-8-14-4-2-7-19(18(14)13-15)24-21(26)16-5-1-6-17(12-16)30(27,28)29-11-3-10-25/h1-2,4-9,12-13,25H,3,10-11H2,(H3,22,23)(H,24,26)
InChIKeyPXERBGNIBOFZOW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE (CHEBI:39910) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATEPDBeChem
3-hydroxypropyl 3-[(7-carbamimidoylnaphthalen-1-yl)carbamoyl]benzenesulfonatePDBeChem
Manual XrefsDatabases
367PDBeChem