CHEBI:104510 - 1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
ChEBI ID CHEBI:104510
Stars This entity has been manually annotated by a third party.
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Formula C25H37N5O5
Net Charge 0
Average Mass 487.593
Monoisotopic Mass 487.27947
InChI InChI=1S/C25H37N5O5/c1-16(2)27-25(32)28-19-7-8-21-22(9-19)35-13-18(4)30(11-20-14-34-15-26-20)10-17(3)23(33-6)12-29(5)24(21)31/h7-9,14-18,23H,10-13H2,1-6H3,(H2,27,28,32)/t17-,18-,23+/m1/s1
InChIKey BBWOUVGAXSHUEL-PNCHPQGNSA-N
SMILES C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CC3=COC=N3
ChEBI Ontology
Outgoing 1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:104510) is a azamacrocycle (CHEBI:52898)
1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:104510) is a lactam (CHEBI:24995)
Manual Xref Database
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