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CHEBI:130049 - N-[[(3R,9R,10R)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-(dimethylamino)-N-methylbutanamide

ChEBI IDCHEBI:130049
ChEBI NameN-[[(3R,9R,10R)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-(dimethylamino)-N-methylbutanamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC36H53N5O8
Net Charge0
Average Mass683.847
Monoisotopic Mass683.38941
SMILESC[C@@H]1CCCCO[C@@H](CN(C)C(=O)CCCN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O1
InChIInChI=1S/C36H53N5O8/c1-24-20-41(25(2)22-42)35(44)29-18-27(37-36(45)38-28-13-15-31-32(19-28)48-23-47-31)12-14-30(29)49-26(3)10-7-8-17-46-33(24)21-40(6)34(43)11-9-16-39(4)5/h12-15,18-19,24-26,33,42H,7-11,16-17,20-23H2,1-6H3,(H2,37,38,45)/t24-,25+,26-,33+/m1/s1
InChIKeyGUDRVYMVDJFNLW-PIMCHDTMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3R,9R,10R)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-(dimethylamino)-N-methylbutanamide (CHEBI:130049) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9R,10R)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-(dimethylamino)-N-methylbutanamide (CHEBI:130049) is a lactam (CHEBI:24995)
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