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CHEBI:100611 - 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide

ChEBI IDCHEBI:100611
ChEBI Name2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
Stars
DownloadsMolfile
FormulaC26H36N4O5
Net Charge0
Average Mass484.597
Monoisotopic Mass484.26857
SMILESO=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cocn2)O1)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C26H36N4O5/c31-22-14-30(13-21-15-34-18-27-21)24-7-6-23(35-25(24)17-33-16-22)10-26(32)28-20-8-9-29(12-20)11-19-4-2-1-3-5-19/h1-5,15,18,20,22-25,31H,6-14,16-17H2,(H,28,32)/t20-,22-,23-,24-,25+/m1/s1
InChIKeyPSFFUTLOGKFPDU-MRPKTGBJSA-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)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide (CHEBI:100611) is a aromatic amine (CHEBI:33860)
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