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CHEBI:94895 - N-[(3S,9S,10S)-9-[[[anilino(oxo)methyl]-methylamino]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]cyclohexanecarboxamide

ChEBI IDCHEBI:94895
ChEBI NameN-[(3S,9S,10S)-9-[[[anilino(oxo)methyl]-methylamino]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]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC36H52N4O6
Net Charge0
Average Mass636.834
Monoisotopic Mass636.38869
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O
InChIInChI=1S/C36H52N4O6/c1-25-22-40(26(2)24-41)35(43)31-21-30(37-34(42)28-14-7-5-8-15-28)18-19-32(31)46-27(3)13-11-12-20-45-33(25)23-39(4)36(44)38-29-16-9-6-10-17-29/h6,9-10,16-19,21,25-28,33,41H,5,7-8,11-15,20,22-24H2,1-4H3,(H,37,42)(H,38,44)/t25-,26+,27-,33+/m0/s1
InChIKeyLCGKYSOTAAWDQI-LIHQSLCGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9S,10S)-9-[[[anilino(oxo)methyl]-methylamino]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]cyclohexanecarboxamide (CHEBI:94895) is a azamacrocycle (CHEBI:52898)
N-[(3S,9S,10S)-9-[[[anilino(oxo)methyl]-methylamino]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]cyclohexanecarboxamide (CHEBI:94895) is a lactam (CHEBI:24995)
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