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CHEBI:97869 - (3S,6aR,8S,10aR)-8-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-hydroxy-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

ChEBI IDCHEBI:97869
ChEBI Name(3S,6aR,8S,10aR)-8-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-hydroxy-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
Stars
DownloadsMolfile
FormulaC26H40N4O5
Net Charge0
Average Mass488.629
Monoisotopic Mass488.29987
SMILESCCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@H]21
InChIInChI=1S/C26H40N4O5/c1-2-11-27-26(33)30-16-21(31)17-34-18-24-23(30)9-8-22(35-24)13-25(32)28-20-10-12-29(15-20)14-19-6-4-3-5-7-19/h3-7,20-24,31H,2,8-18H2,1H3,(H,27,33)(H,28,32)/t20-,21-,22-,23+,24-/m0/s1
InChIKeyWWAGOAOIMIOBRQ-NLPWIYRPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(3S,6aR,8S,10aR)-8-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-hydroxy-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:97869) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-9248LINCS