EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44906 - 1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxyethyl]pyrrolidine-2-{N-[1-(1-carbamoyl-2-methylpropylcarbamoyl)-2-methylbutyl]}carboxamide

ChEBI IDCHEBI:44906
ChEBI Name1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxyethyl]pyrrolidine-2-{N-[1-(1-carbamoyl-2-methylpropylcarbamoyl)-2-methylbutyl]}carboxamide
Stars
ASCII Name1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxyethyl]pyrrolidine-2-{N-[1-(1-carbamoyl-2-methylpropylcarbamoyl)-2-methylbutyl]}carboxamide
Last Modified24 September 2007
DownloadsMolfile
FormulaC34H53N7O8
Net Charge0
Average Mass687.839
Monoisotopic Mass687.39556
SMILES[H]O[C@@]([H])(C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@@]1([H])N([H])C(=O)[C@]([H])(C([H])([H])C(=O)N([H])[H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])Oc2c([H])c([H])c(c([H])c2[H])C1([H])[H]
InChIInChI=1S/C34H53N7O8/c1-5-20(4)30(34(48)39-29(19(2)3)31(36)45)40-33(47)25-8-6-14-41(25)18-26(42)23-16-21-10-12-22(13-11-21)49-15-7-9-28(44)37-24(17-27(35)43)32(46)38-23/h10-13,19-20,23-26,29-30,42H,5-9,14-18H2,1-4H3,(H2,35,43)(H2,36,45)(H,37,44)(H,38,46)(H,39,48)(H,40,47)/t20-,23-,24-,25-,26-,29-,30-/m0/s1
InChIKeyNTXPPIBCRQQDJL-DNNFQJJYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxyethyl]pyrrolidine-2-{N-[1-(1-carbamoyl-2-methylpropylcarbamoyl)-2-methylbutyl]}carboxamide (CHEBI:44906) is a azabicycloalkane (CHEBI:38295)
1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxyethyl]pyrrolidine-2-{N-[1-(1-carbamoyl-2-methylpropylcarbamoyl)-2-methylbutyl]}carboxamide (CHEBI:44906) is a oxabicycloalkane (CHEBI:46733)
1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-yl)-2-hydroxyethyl]pyrrolidine-2-{N-[1-(1-carbamoyl-2-methylpropylcarbamoyl)-2-methylbutyl]}carboxamide (CHEBI:44906) is a tripeptide (CHEBI:47923)
Synonyms  Source
1-{(2S)-2-[(8S,11S)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl}-L-prolyl-L-isoleucyl-L-valinamidePDBeChem
1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL] -PYRROLIDINE-2-CARBOXYLIC ACID [1-(1-CARBAMOYL-2-METHYL-PROPYLCARBAMOYL) -2-METHYL-BUTYL]-AMIDEPDBeChem
Manual XrefsDatabases
PI1PDBeChem