EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45107 - METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE]

Default Structure
ChEBI IDCHEBI:45107
ChEBI NameMETHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE]
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC29H32N2O7P
Net Charge-1
Average Mass551.556
Monoisotopic Mass551.19526
SMILES[H]c1c([H])c([H])c(C([H])([H])[C@]([H])(O[P@](=O)([O-])[C@@]2([H])N([H])C(=O)[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C(=O)C([H])([H])c3c([H])c([H])c([H])c4c([H])c([H])c(c([H])c34)C2([H])[H])C(=O)OC([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C29H33N2O7P/c1-18(2)27-28(33)31-26(39(35,36)38-24(29(34)37-3)15-19-8-5-4-6-9-19)16-20-12-13-21-10-7-11-22(23(21)14-20)17-25(32)30-27/h4-14,18,24,26-27H,15-17H2,1-3H3,(H,30,32)(H,31,33)(H,35,36)/p-1/t24-,26+,27-/m0/s1
InChIKeyBJANYCOFDSBOJK-OIKPOIBNSA-M
ChEBI Ontology
Outgoing Relation(s)
METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE] (CHEBI:45107) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S)-1-benzyl-2-methoxy-2-oxoethyl [(4S,7R)-4-(1-methylethyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-9,11-etheno-3,6-benzodiazacyclododecin-7-yl]phosphonatePDBeChem
METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE]PDBeChem
Manual XrefsDatabases
PP6PDBeChem