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CHEBI:111130 - N-[[(3S,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-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-9-yl]methyl]-N-methylbenzamide

ChEBI IDCHEBI:111130
ChEBI NameN-[[(3S,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-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-9-yl]methyl]-N-methylbenzamide
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DownloadsMolfile
FormulaC35H52N4O6
Net Charge0
Average Mass624.823
Monoisotopic Mass624.38869
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O
InChIInChI=1S/C35H52N4O6/c1-25-22-39(26(2)24-40)35(43)30-21-29(36-33(41)16-12-19-37(4)5)17-18-31(30)45-27(3)13-10-11-20-44-32(25)23-38(6)34(42)28-14-8-7-9-15-28/h7-9,14-15,17-18,21,25-27,32,40H,10-13,16,19-20,22-24H2,1-6H3,(H,36,41)/t25-,26+,27-,32+/m0/s1
InChIKeySDZYTDXKXKHZJE-ACIRYHQQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(3S,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-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-9-yl]methyl]-N-methylbenzamide (CHEBI:111130) is a azamacrocycle (CHEBI:52898)
N-[[(3S,9S,10S)-16-[[4-(dimethylamino)-1-oxobutyl]amino]-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-9-yl]methyl]-N-methylbenzamide (CHEBI:111130) is a lactam (CHEBI:24995)
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