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CHEBI:103114 - 2-[(2R,4aR,12aS)-5-methyl-8-[[(3-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide

ChEBI IDCHEBI:103114
ChEBI Name2-[(2R,4aR,12aS)-5-methyl-8-[[(3-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC31H33ClN4O5
Net Charge0
Average Mass577.081
Monoisotopic Mass576.21395
SMILESCc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)NCc4ccccc4Cl)O[C@@H]2CO3)c1
InChIInChI=1S/C31H33ClN4O5/c1-19-6-5-8-21(14-19)34-31(39)35-22-10-13-27-24(15-22)30(38)36(2)26-12-11-23(41-28(26)18-40-27)16-29(37)33-17-20-7-3-4-9-25(20)32/h3-10,13-15,23,26,28H,11-12,16-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26-,28-/m1/s1
InChIKeySECMWWJMRQEFAV-KODFZCBSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,4aR,12aS)-5-methyl-8-[[(3-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide (CHEBI:103114) is a ureas (CHEBI:47857)
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