CHEBI:102038 - 1-[(4S,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-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-phenylurea

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ChEBI Name 1-[(4S,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-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-phenylurea
ChEBI ID CHEBI:102038
Stars This entity has been manually annotated by a third party.
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Formula C29H38N4O5
Net Charge 0
Average Mass 522.637
Monoisotopic Mass 522.28422
InChI InChI=1S/C29H38N4O5/c1-19-16-33(27(34)14-21-10-11-21)20(2)18-38-25-13-12-23(31-29(36)30-22-8-6-5-7-9-22)15-24(25)28(35)32(3)17-26(19)37-4/h5-9,12-13,15,19-21,26H,10-11,14,16-18H2,1-4H3,(H2,30,31,36)/t19-,20+,26-/m1/s1
InChIKey ZWMNFEZEGHFZOH-BVFVYWQFSA-N
SMILES C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4
ChEBI Ontology
Outgoing 1-[(4S,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-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-phenylurea (CHEBI:102038) is a azamacrocycle (CHEBI:52898)
1-[(4S,7R,8S)-5-(2-cyclopropyl-1-oxoethyl)-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-phenylurea (CHEBI:102038) is a lactam (CHEBI:24995)
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