CHEBI:104737 - 1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

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ChEBI Name 1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea ChEBI ID CHEBI:104737 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H42N4O5 Net Charge 0 Average Mass 526.669 Monoisotopic Mass 526.31552 InChI InChI=1S/C29H42N4O5/c1-20-18-33(21(2)19-34)28(35)25-16-24(32-29(36)31-23-11-6-5-7-12-23)13-14-26(25)38-22(3)10-8-9-15-37-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,34H,8-10,15,17-19H2,1-4H3,(H2,31,32,36)/t20-,21+,22-,27-/m1/s1 InChIKey HNFJEPMYRFFBAZ-RSOWOKRSSA-N SMILES C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CNC ChEBI Ontology Outgoing 1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:104737) is a azamacrocycle (CHEBI:52898) 1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:104737) is a lactam (CHEBI:24995) Manual Xref Database LSM-16100 LINCS View more database links