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CHEBI:130672 - 1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

ChEBI IDCHEBI:130672
ChEBI Name1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
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DownloadsMolfile
FormulaC36H48N4O7S
Net Charge0
Average Mass680.868
Monoisotopic Mass680.32437
SMILESCc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C36H48N4O7S/c1-25-14-17-31(18-15-25)48(44,45)39(5)23-34-26(2)22-40(27(3)24-41)35(42)32-21-30(38-36(43)37-29-12-7-6-8-13-29)16-19-33(32)47-28(4)11-9-10-20-46-34/h6-8,12-19,21,26-28,34,41H,9-11,20,22-24H2,1-5H3,(H2,37,38,43)/t26-,27-,28+,34-/m1/s1
InChIKeyNUFPJBMQCUUNGC-OAGJSAJJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:130672) is a azamacrocycle (CHEBI:52898)
1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:130672) is a lactam (CHEBI:24995)
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