EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129448 - N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide

ChEBI IDCHEBI:129448
ChEBI NameN-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC32H36N6O5
Net Charge0
Average Mass584.677
Monoisotopic Mass584.27472
SMILESCN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H]2O[C@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21
InChIInChI=1S/C32H36N6O5/c1-37-27-9-8-24(16-30(39)35-23-11-14-38(19-23)18-21-5-3-2-4-6-21)43-29(27)20-42-28-10-7-22(15-25(28)32(37)41)36-31(40)26-17-33-12-13-34-26/h2-7,10,12-13,15,17,23-24,27,29H,8-9,11,14,16,18-20H2,1H3,(H,35,39)(H,36,40)/t23-,24-,27-,29-/m0/s1
InChIKeyHJSUWZUIIQDZFE-GFGLBCFSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide (CHEBI:129448) is a pyrazines (CHEBI:38314)
N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide (CHEBI:129448) is a secondary carboxamide (CHEBI:140325)
N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-pyrazinecarboxamide (CHEBI:129448) is a tertiary carboxamide (CHEBI:140326)
Manual XrefsDatabases
LSM-40999LINCS