CHEBI:100839 - 1-[(4S,7S,8S)-5-(cyclopropylmethyl)-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-(3-methoxyphenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(4S,7S,8S)-5-(cyclopropylmethyl)-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-(3-methoxyphenyl)urea
ChEBI ID CHEBI:100839
Stars This entity has been manually annotated by a third party.
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Formula C29H40N4O5
Net Charge 0
Average Mass 524.653
Monoisotopic Mass 524.29987
InChI InChI=1S/C29H40N4O5/c1-19-15-33(16-21-9-10-21)20(2)18-38-26-12-11-23(14-25(26)28(34)32(3)17-27(19)37-5)31-29(35)30-22-7-6-8-24(13-22)36-4/h6-8,11-14,19-21,27H,9-10,15-18H2,1-5H3,(H2,30,31,35)/t19-,20-,27+/m0/s1
InChIKey NFEVTECKVPPYCJ-OWOAZTCBSA-N
SMILES C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4
ChEBI Ontology
Outgoing 1-[(4S,7S,8S)-5-(cyclopropylmethyl)-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-(3-methoxyphenyl)urea (CHEBI:100839) is a azamacrocycle (CHEBI:52898)
1-[(4S,7S,8S)-5-(cyclopropylmethyl)-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-(3-methoxyphenyl)urea (CHEBI:100839) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-12213 LINCS
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