CHEBI:100730 - 1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

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ChEBI Name 1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
ChEBI ID CHEBI:100730
Stars This entity has been manually annotated by a third party.
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Formula C27H42N4O6
Net Charge 0
Average Mass 518.647
Monoisotopic Mass 518.31044
InChI InChI=1S/C27H42N4O6/c1-6-11-28-27(34)29-21-7-8-22-23(14-21)37-17-19(3)31(25(32)20-9-12-36-13-10-20)15-18(2)24(35-5)16-30(4)26(22)33/h7-8,14,18-20,24H,6,9-13,15-17H2,1-5H3,(H2,28,29,34)/t18-,19-,24+/m1/s1
InChIKey NYJPVGKIWASVOA-IECBHUPTSA-N
SMILES CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)C3CCOCC3)C)OC)C
ChEBI Ontology
Outgoing 1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:100730) is a azamacrocycle (CHEBI:52898)
1-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:100730) is a lactam (CHEBI:24995)
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