CHEBI:103648 - N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide

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ChEBI Name N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
ChEBI ID CHEBI:103648
Stars This entity has been manually annotated by a third party.
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Formula C33H54N4O6
Net Charge 0
Average Mass 602.806
Monoisotopic Mass 602.40434
InChI InChI=1S/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m0/s1
InChIKey PLFJTCJSGHSPAZ-INVAMZEASA-N
SMILES C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
ChEBI Ontology
Outgoing N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:103648) is a azamacrocycle (CHEBI:52898)
N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:103648) is a lactam (CHEBI:24995)
Manual Xref Database
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Last Modified
03 March 2016