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CHEBI:127644 - 1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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-9-yl]methyl]-3-cyclohexyl-1-methylurea

ChEBI IDCHEBI:127644
ChEBI Name1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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-9-yl]methyl]-3-cyclohexyl-1-methylurea
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DownloadsMolfile
FormulaC36H53N5O6
Net Charge0
Average Mass651.849
Monoisotopic Mass651.39958
SMILESC[C@H]1CCCCO[C@@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1
InChIInChI=1S/C36H53N5O6/c1-25-22-41(26(2)24-42)34(43)31-21-30(38-35(44)37-28-14-7-5-8-15-28)18-19-32(31)47-27(3)13-11-12-20-46-33(25)23-40(4)36(45)39-29-16-9-6-10-17-29/h5,7-8,14-15,18-19,21,25-27,29,33,42H,6,9-13,16-17,20,22-24H2,1-4H3,(H,39,45)(H2,37,38,44)/t25-,26-,27-,33-/m0/s1
InChIKeyDPEMORWFTDHHQZ-KIAQLKRMSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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-9-yl]methyl]-3-cyclohexyl-1-methylurea (CHEBI:127644) is a azamacrocycle (CHEBI:52898)
1-[[(3S,9R,10S)-16-[[anilino(oxo)methyl]amino]-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-9-yl]methyl]-3-cyclohexyl-1-methylurea (CHEBI:127644) is a lactam (CHEBI:24995)
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