CHEBI:117789 - 1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-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-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-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:117789
Stars This entity has been manually annotated by a third party.
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Formula C33H50N4O6
Net Charge 0
Average Mass 598.775
Monoisotopic Mass 598.37304
InChI InChI=1S/C33H50N4O6/c1-7-17-36(5)21-31-23(2)20-37(24(3)22-38)32(39)29-19-27(13-16-30(29)43-25(4)10-8-9-18-42-31)35-33(40)34-26-11-14-28(41-6)15-12-26/h11-16,19,23-25,31,38H,7-10,17-18,20-22H2,1-6H3,(H2,34,35,40)/t23-,24+,25+,31-/m0/s1
InChIKey QAGMOHWNXLCFPJ-UMDYSXRGSA-N
SMILES CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H](CCCCO1)C)[C@H](C)CO)C
ChEBI Ontology
Outgoing 1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:117789) is a azamacrocycle (CHEBI:52898)
1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea (CHEBI:117789) is a lactam (CHEBI:24995)
Manual Xref Database
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