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CHEBI:110616 - 1-[(4R,7S,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea

ChEBI IDCHEBI:110616
ChEBI Name1-[(4R,7S,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
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DownloadsMolfile
FormulaC28H39N5O5
Net Charge0
Average Mass525.650
Monoisotopic Mass525.29512
SMILESCO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)N(C(=O)CN(C)C)C[C@@H]1C
InChIInChI=1S/C28H39N5O5/c1-19-15-33(26(34)17-31(3)4)20(2)18-38-24-13-12-22(30-28(36)29-21-10-8-7-9-11-21)14-23(24)27(35)32(5)16-25(19)37-6/h7-14,19-20,25H,15-18H2,1-6H3,(H2,29,30,36)/t19-,20+,25+/m0/s1
InChIKeyXWLPDPDFVWQKHJ-WZOHSFFVSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(4R,7S,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea (CHEBI:110616) is a azamacrocycle (CHEBI:52898)
1-[(4R,7S,8S)-5-[2-(dimethylamino)-1-oxoethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea (CHEBI:110616) is a lactam (CHEBI:24995)
Manual XrefsDatabases
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