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CHEBI:103560 - 2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide

ChEBI IDCHEBI:103560
ChEBI Name2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]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-/m0/s1
InChIKeyJZQJXXSKGFWMTL-RCZLLDMCSA-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-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide (CHEBI:103560) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-14904LINCS