CHEBI:103781 - N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide
ChEBI ID CHEBI:103781
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)35-27-15-16-29-28(18-27)32(40)37(24(4)21-38)19-23(3)30(42-17-11-10-12-25(5)43-29)20-36(6)31(39)26-13-8-7-9-14-26/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H2,34,35,41)/t23-,24-,25-,30+/m1/s1
InChIKey KOPUKDVKYXJRIR-GBRARVNLSA-N
SMILES C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3CCCCC3
ChEBI Ontology
Outgoing N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:103781) is a azamacrocycle (CHEBI:52898)
N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:103781) is a lactam (CHEBI:24995)
Manual Xref Database
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Last Modified
03 March 2016