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CHEBI:129169 - 1-cyclohexyl-3-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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]urea

ChEBI IDCHEBI:129169
ChEBI Name1-cyclohexyl-3-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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]urea
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DownloadsMolfile
FormulaC33H54N4O5
Net Charge0
Average Mass586.818
Monoisotopic Mass586.40942
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)CC1CC1
InChIInChI=1S/C33H54N4O5/c1-23-19-37(24(2)22-38)32(39)29-18-28(35-33(40)34-27-11-6-5-7-12-27)15-16-30(29)42-25(3)10-8-9-17-41-31(23)21-36(4)20-26-13-14-26/h15-16,18,23-27,31,38H,5-14,17,19-22H2,1-4H3,(H2,34,35,40)/t23-,24+,25+,31+/m1/s1
InChIKeyOYTWRKZESVKYOW-HSFWNXDSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-cyclohexyl-3-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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]urea (CHEBI:129169) is a azamacrocycle (CHEBI:52898)
1-cyclohexyl-3-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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]urea (CHEBI:129169) is a lactam (CHEBI:24995)
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