CHEBI:104273 - 1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-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-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
ChEBI ID CHEBI:104273
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H34N4O4
Net Charge 0
Average Mass 406.520
Monoisotopic Mass 406.25801
InChI InChI=1S/C21H34N4O4/c1-13(2)23-21(27)24-16-7-8-18-17(9-16)20(26)25(5)11-19(28-6)14(3)10-22-15(4)12-29-18/h7-9,13-15,19,22H,10-12H2,1-6H3,(H2,23,24,27)/t14-,15+,19+/m1/s1
InChIKey PXLHMJKVTIIEQJ-VCBZYWHSSA-N
SMILES C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C
ChEBI Ontology
Outgoing 1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:104273) is a azamacrocycle (CHEBI:52898)
1-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea (CHEBI:104273) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-15638 LINCS
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