CHEBI:106427 - 1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
ChEBI ID CHEBI:106427
Stars This entity has been manually annotated by a third party.
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Formula C27H36N4O5
Net Charge 0
Average Mass 496.600
Monoisotopic Mass 496.26857
InChI InChI=1S/C27H36N4O5/c1-6-25(32)31-15-18(2)24(35-5)16-30(4)26(33)22-13-12-21(14-23(22)36-17-19(31)3)29-27(34)28-20-10-8-7-9-11-20/h7-14,18-19,24H,6,15-17H2,1-5H3,(H2,28,29,34)/t18-,19-,24+/m0/s1
InChIKey XAICKZHKLVEFIU-AXHZCLLHSA-N
SMILES CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)OC[C@@H]1C)C)OC)C
ChEBI Ontology
Outgoing 1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea (CHEBI:106427) is a azamacrocycle (CHEBI:52898)
1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea (CHEBI:106427) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-17786 LINCS
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