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CHEBI:40323 - N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE

Default Structure
ChEBI IDCHEBI:40323
ChEBI NameN-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC31H34F2N3O6P
Net Charge0
Average Mass613.598
Monoisotopic Mass613.21533
SMILES[H]OP(=O)(O[H])C(F)(F)c1c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)N([H])[C@]2([H])C(=O)N(C([H])([H])c3c([H])c([H])c(-c4c([H])c([H])c([H])c([H])c4[H])c([H])c3[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])N([H])C(=O)C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C31H34F2N3O6P/c1-21(37)34-28(19-22-12-16-26(17-13-22)31(32,33)43(40,41)42)29(38)35-27-9-5-6-18-36(30(27)39)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,34,37)(H,35,38)(H2,40,41,42)/t27-,28-/m0/s1
InChIKeyLVZDQVATAQEMCX-NSOVKSMOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE (CHEBI:40323) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDEPDBeChem
Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-4-[difluoro(phosphono)methyl]-L-phenylalaninamidePDBeChem
Manual XrefsDatabases
822PDBeChem