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CHEBI:97398 - 2-[(2S,4aS,12aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide

ChEBI IDCHEBI:97398
ChEBI Name2-[(2S,4aS,12aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
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DownloadsMolfile
FormulaC33H40N6O6
Net Charge0
Average Mass616.719
Monoisotopic Mass616.30093
SMILESCc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)O[C@H]1CO2
InChIInChI=1S/C33H40N6O6/c1-20-31(21(2)45-37-20)36-33(42)35-23-9-12-28-26(15-23)32(41)38(3)27-11-10-25(44-29(27)19-43-28)16-30(40)34-24-13-14-39(18-24)17-22-7-5-4-6-8-22/h4-9,12,15,24-25,27,29H,10-11,13-14,16-19H2,1-3H3,(H,34,40)(H2,35,36,42)/t24-,25+,27+,29+/m1/s1
InChIKeyJZQJXXSKGFWMTL-XYCBIXARSA-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-[(2S,4aS,12aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide (CHEBI:97398) is a aromatic amine (CHEBI:33860)
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