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CHEBI:117791 - N-[[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide

ChEBI IDCHEBI:117791
ChEBI NameN-[[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
Stars
DownloadsMolfile
FormulaC33H48N4O6
Net Charge0
Average Mass596.769
Monoisotopic Mass596.35739
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)c1ccccc1)OCCCC[C@H](C)O2
InChIInChI=1S/C33H48N4O6/c1-22(2)34-33(41)35-27-15-16-29-28(18-27)32(40)37(24(4)21-38)19-23(3)30(42-17-11-10-12-25(5)43-29)20-36(6)31(39)26-13-8-7-9-14-26/h7-9,13-16,18,22-25,30,38H,10-12,17,19-21H2,1-6H3,(H2,34,35,41)/t23-,24-,25+,30+/m1/s1
InChIKeyDXYWKCBATINIRK-ZRIOWSNCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide (CHEBI:117791) is a azamacrocycle (CHEBI:52898)
N-[[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide (CHEBI:117791) is a lactam (CHEBI:24995)
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