CHEBI:103597 - 1-[(3R,9S,10R)-12-[(2S)-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-propan-2-ylurea

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ChEBI Name 1-[(3R,9S,10R)-12-[(2S)-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-propan-2-ylurea
ChEBI ID CHEBI:103597
Stars This entity has been manually annotated by a third party.
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Formula C29H50N4O5
Net Charge 0
Average Mass 534.732
Monoisotopic Mass 534.37812
InChI InChI=1S/C29H50N4O5/c1-8-14-32(7)18-27-21(4)17-33(22(5)19-34)28(35)25-16-24(31-29(36)30-20(2)3)12-13-26(25)38-23(6)11-9-10-15-37-27/h12-13,16,20-23,27,34H,8-11,14-15,17-19H2,1-7H3,(H2,30,31,36)/t21-,22+,23-,27-/m1/s1
InChIKey OXLKGXSDHBDOHC-QSGNWFJVSA-N
SMILES CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C
ChEBI Ontology
Outgoing 1-[(3R,9S,10R)-12-[(2S)-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-propan-2-ylurea (CHEBI:103597) is a azamacrocycle (CHEBI:52898)
1-[(3R,9S,10R)-12-[(2S)-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-propan-2-ylurea (CHEBI:103597) is a lactam (CHEBI:24995)
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