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CHEBI:104785 - 4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

ChEBI IDCHEBI:104785
ChEBI Name4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
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DownloadsMolfile
FormulaC31H54N4O5
Net Charge0
Average Mass562.796
Monoisotopic Mass562.40942
SMILESCCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C31H54N4O5/c1-8-16-34(7)21-29-23(2)20-35(24(3)22-36)31(38)27-19-26(32-30(37)13-11-17-33(5)6)14-15-28(27)40-25(4)12-9-10-18-39-29/h14-15,19,23-25,29,36H,8-13,16-18,20-22H2,1-7H3,(H,32,37)/t23-,24+,25+,29+/m0/s1
InChIKeyNSUWFWDPIIGHAU-GYKHTSFTSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104785) is a azamacrocycle (CHEBI:52898)
4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104785) is a lactam (CHEBI:24995)
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