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CHEBI:125194 - N-(3-ethylphenyl)carbamic acid [(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[oxo-(2-phenylanilino)methoxy]-3-oxanyl] ester

ChEBI IDCHEBI:125194
ChEBI NameN-(3-ethylphenyl)carbamic acid [(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[oxo-(2-phenylanilino)methoxy]-3-oxanyl] ester
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DownloadsMolfile
FormulaC42H41N3O9
Net Charge0
Average Mass731.802
Monoisotopic Mass731.28428
SMILESCCc1cccc(NC(=O)O[C@H]2[C@H](OC(=O)Nc3ccccc3-c3ccccc3)[C@@H](OC(=O)Nc3ccccc3-c3ccccc3)[C@@H](OC)O[C@@H]2CO)c1
InChIInChI=1S/C42H41N3O9/c1-3-27-15-14-20-30(25-27)43-40(47)52-36-35(26-46)51-39(50-2)38(54-42(49)45-34-24-13-11-22-32(34)29-18-8-5-9-19-29)37(36)53-41(48)44-33-23-12-10-21-31(33)28-16-6-4-7-17-28/h4-25,35-39,46H,3,26H2,1-2H3,(H,43,47)(H,44,48)(H,45,49)/t35-,36-,37+,38-,39+/m1/s1
InChIKeyGJUVCFPEPSJMQQ-QGVRFUEOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(3-ethylphenyl)carbamic acid [(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[oxo-(2-phenylanilino)methoxy]-3-oxanyl] ester (CHEBI:125194) is a biphenyls (CHEBI:22888)
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