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CHEBI:129021 - 1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:129021
ChEBI Name1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea
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DownloadsMolfile
FormulaC37H50N4O5
Net Charge0
Average Mass630.830
Monoisotopic Mass630.37812
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O
InChIInChI=1S/C37H50N4O5/c1-25-21-41(26(2)24-42)36(43)32-20-30(38-37(44)39-33-14-9-12-29-11-5-6-13-31(29)33)17-18-34(32)46-27(3)10-7-8-19-45-35(25)23-40(4)22-28-15-16-28/h5-6,9,11-14,17-18,20,25-28,35,42H,7-8,10,15-16,19,21-24H2,1-4H3,(H2,38,39,44)/t25-,26+,27-,35+/m0/s1
InChIKeyRPQNKPQYAVBHIP-BTHRYZMCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea (CHEBI:129021) is a azamacrocycle (CHEBI:52898)
1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea (CHEBI:129021) is a lactam (CHEBI:24995)
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