CHEBI:112617 - 3-cyclohexyl-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

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ChEBI Name 3-cyclohexyl-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
ChEBI ID CHEBI:112617
Stars This entity has been manually annotated by a third party.
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Formula C23H40N6O4
Net Charge 0
Average Mass 464.602
Monoisotopic Mass 464.31110
InChI InChI=1S/C23H40N6O4/c1-17-13-28(18(2)15-30)22(31)10-7-11-29-20(12-24-26-29)16-33-21(17)14-27(3)23(32)25-19-8-5-4-6-9-19/h12,17-19,21,30H,4-11,13-16H2,1-3H3,(H,25,32)/t17-,18+,21+/m0/s1
InChIKey WMEBRZUCENJNIY-WAOWUJCRSA-N
SMILES C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)NC3CCCCC3)[C@H](C)CO
ChEBI Ontology
Outgoing 3-cyclohexyl-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea (CHEBI:112617) is a azamacrocycle (CHEBI:52898)
3-cyclohexyl-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea (CHEBI:112617) is a lactam (CHEBI:24995)
Manual Xref Database
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