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CHEBI:100470 - 2-[(2S,4aS,12aS)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide

ChEBI IDCHEBI:100470
ChEBI Name2-[(2S,4aS,12aS)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide
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DownloadsMolfile
FormulaC30H38ClN5O6
Net Charge0
Average Mass600.116
Monoisotopic Mass599.25106
SMILESCN1C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@H]2O[C@H](CC(=O)NCCCN3CCOCC3)CC[C@@H]21
InChIInChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25-,27+/m0/s1
InChIKeyMRBZRZGKCPBOJB-IDNYDCHQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,4aS,12aS)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide (CHEBI:100470) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-11844LINCS