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CHEBI:40883 - BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM

Default Structure
ChEBI IDCHEBI:40883
ChEBI NameBENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H38N3O4
Net Charge+1
Average Mass504.651
Monoisotopic Mass504.28568
SMILES[H]O[C@@]([H])(C([H])([H])[N@@+](N([H])C(=O)c1c([H])c([H])c([H])c([H])c1[H])(C([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])[C@@]([H])(N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C30H37N3O4/c1-30(2,3)37-29(36)31-26(20-23-14-8-5-9-15-23)27(34)22-33(4,21-24-16-10-6-11-17-24)32-28(35)25-18-12-7-13-19-25/h5-19,26-27,34H,20-22H2,1-4H3,(H-,31,32,35,36)/p+1/t26-,27-,33+/m0/s1
InChIKeyKTCIZECZUWZDHY-ZTMGNVKNSA-O
ChEBI Ontology
Outgoing Relation(s)
BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM (CHEBI:40883) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R)-1-benzyl-1-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-1-methyl-2-(phenylcarbonyl)diazaniumPDBeChem
BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUMPDBeChem
Manual XrefsDatabases
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