CHEBI:96089 - 1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-phenylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-phenylurea
ChEBI ID CHEBI:96089
Stars This entity has been manually annotated by a third party.
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Formula C23H34N6O4
Net Charge 0
Average Mass 458.555
Monoisotopic Mass 458.26415
InChI InChI=1S/C23H34N6O4/c1-17-12-29(18(2)15-30)22(31)10-7-11-28-13-20(25-26-28)16-33-21(17)14-27(3)23(32)24-19-8-5-4-6-9-19/h4-6,8-9,13,17-18,21,30H,7,10-12,14-16H2,1-3H3,(H,24,32)/t17-,18+,21-/m1/s1
InChIKey HYHIJLYQTCYSKX-LVCYWYKZSA-N
SMILES C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)NC3=CC=CC=C3)N=N2)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-phenylurea (CHEBI:96089) is a azamacrocycle (CHEBI:52898)
1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-phenylurea (CHEBI:96089) is a lactam (CHEBI:24995)
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