CHEBI:106736 - 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-phenylurea

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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-phenylurea
ChEBI ID CHEBI:106736
Stars This entity has been manually annotated by a third party.
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Formula C32H48N4O5
Net Charge 0
Average Mass 568.749
Monoisotopic Mass 568.36247
InChI InChI=1S/C32H48N4O5/c1-6-17-35(5)21-30-23(2)20-36(24(3)22-37)31(38)28-19-27(34-32(39)33-26-13-8-7-9-14-26)15-16-29(28)41-25(4)12-10-11-18-40-30/h7-9,13-16,19,23-25,30,37H,6,10-12,17-18,20-22H2,1-5H3,(H2,33,34,39)/t23-,24+,25+,30-/m0/s1
InChIKey MWWGHCHVGSQFNB-RPQPUBLWSA-N
SMILES CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)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-phenylurea (CHEBI:106736) 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-phenylurea (CHEBI:106736) is a lactam (CHEBI:24995)
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