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CHEBI:40381 - N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE

Default Structure
ChEBI IDCHEBI:40381
ChEBI NameN-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC30H35N3O9P2
Net Charge0
Average Mass643.570
Monoisotopic Mass643.18485
SMILES[H]OP(=O)(O[H])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])c1P(=O)(O[H])O[H]
InChIInChI=1S/C30H35N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)(H2,40,41,42)/t25-,26-/m0/s1
InChIKeyWCMLXBUNHNAMNH-UIOOFZCWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE (CHEBI:40381) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDEPDBeChem
Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphono-L-phenylalaninamidePDBeChem
Manual XrefsDatabases
876PDBeChem