CHEBI:127257 - 1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]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]-3-(4-methoxyphenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]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]-3-(4-methoxyphenyl)urea
ChEBI ID CHEBI:127257
Stars This entity has been manually annotated by a third party.
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Formula C37H56N4O6
Net Charge 0
Average Mass 652.865
Monoisotopic Mass 652.41999
InChI InChI=1S/C37H56N4O6/c1-26-22-41(27(2)25-42)36(43)33-21-31(39-37(44)38-30-14-17-32(45-5)18-15-30)16-19-34(33)47-28(3)11-9-10-20-46-35(26)24-40(4)23-29-12-7-6-8-13-29/h14-19,21,26-29,35,42H,6-13,20,22-25H2,1-5H3,(H2,38,39,44)/t26-,27-,28+,35-/m1/s1
InChIKey BACUFSHCHJQBQC-RIKJNLPISA-N
SMILES C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)CC4CCCCC4
ChEBI Ontology
Outgoing 1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]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]-3-(4-methoxyphenyl)urea (CHEBI:127257) is a azamacrocycle (CHEBI:52898)
1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]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]-3-(4-methoxyphenyl)urea (CHEBI:127257) is a lactam (CHEBI:24995)
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