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CHEBI:127558 - 1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

ChEBI IDCHEBI:127558
ChEBI Name1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
Stars
DownloadsMolfile
FormulaC37H48N4O7
Net Charge0
Average Mass660.812
Monoisotopic Mass660.35230
SMILESC[C@@H]1CCCCO[C@@H](CN(C)Cc2ccccc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1
InChIInChI=1S/C37H48N4O7/c1-25-20-41(26(2)23-42)36(43)31-18-29(38-37(44)39-30-14-16-33-34(19-30)47-24-46-33)13-15-32(31)48-27(3)10-8-9-17-45-35(25)22-40(4)21-28-11-6-5-7-12-28/h5-7,11-16,18-19,25-27,35,42H,8-10,17,20-24H2,1-4H3,(H2,38,39,44)/t25-,26-,27-,35+/m1/s1
InChIKeyWAZWVLWQIWHNSB-PVLYCHHLSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:127558) is a azamacrocycle (CHEBI:52898)
1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:127558) is a lactam (CHEBI:24995)
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