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CHEBI:126272 - N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide

ChEBI IDCHEBI:126272
ChEBI NameN-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide
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DownloadsMolfile
FormulaC34H45N3O7S2
Net Charge0
Average Mass671.882
Monoisotopic Mass671.26989
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C1=O
InChIInChI=1S/C34H45N3O7S2/c1-24-21-37(25(2)23-38)34(40)29-20-28(35-46(41,42)33-14-10-18-45-33)15-16-30(29)44-26(3)11-8-9-17-43-31(24)22-36(4)32(39)19-27-12-6-5-7-13-27/h5-7,10,12-16,18,20,24-26,31,35,38H,8-9,11,17,19,21-23H2,1-4H3/t24-,25+,26-,31-/m0/s1
InChIKeyAXIYWUVAYXRWBH-XZSHTLEFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:126272) is a azamacrocycle (CHEBI:52898)
N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:126272) is a lactam (CHEBI:24995)
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