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CHEBI:125976 - N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide

ChEBI IDCHEBI:125976
ChEBI NameN-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide
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DownloadsMolfile
FormulaC34H45N3O7S2
Net Charge0
Average Mass671.882
Monoisotopic Mass671.26989
SMILESC[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2cccs2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1
InChIInChI=1S/C34H45N3O7S2/c1-24-21-37(25(2)23-38)34(40)29-20-28(35-32(39)19-27-12-6-5-7-13-27)15-16-30(29)44-26(3)11-8-9-17-43-31(24)22-36(4)46(41,42)33-14-10-18-45-33/h5-7,10,12-16,18,20,24-26,31,38H,8-9,11,17,19,21-23H2,1-4H3,(H,35,39)/t24-,25+,26-,31-/m1/s1
InChIKeyHCQLERWFCRODCT-FVCFNFBRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:125976) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:125976) is a lactam (CHEBI:24995)
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