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CHEBI:104780 - N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:104780
ChEBI NameN-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC35H60N4O5
Net Charge0
Average Mass616.888
Monoisotopic Mass616.45637
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O
InChIInChI=1S/C35H60N4O5/c1-26-22-39(27(2)25-40)35(42)31-21-30(36-34(41)16-12-19-37(4)5)17-18-32(31)44-28(3)13-10-11-20-43-33(26)24-38(6)23-29-14-8-7-9-15-29/h17-18,21,26-29,33,40H,7-16,19-20,22-25H2,1-6H3,(H,36,41)/t26-,27+,28-,33-/m0/s1
InChIKeyXXBVUIDNUVBELT-YENKVUBUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide (CHEBI:104780) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-(dimethylamino)butanamide (CHEBI:104780) is a lactam (CHEBI:24995)
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