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CHEBI:126736 - 1-[(3S,9S,10S)-9-[[cyclohexylmethyl(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:126736
ChEBI Name1-[(3S,9S,10S)-9-[[cyclohexylmethyl(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
FormulaC40H56N4O5
Net Charge0
Average Mass672.911
Monoisotopic Mass672.42507
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc34)cc2C1=O
InChIInChI=1S/C40H56N4O5/c1-28-24-44(29(2)27-45)39(46)35-23-33(41-40(47)42-36-19-12-17-32-16-8-9-18-34(32)36)20-21-37(35)49-30(3)13-10-11-22-48-38(28)26-43(4)25-31-14-6-5-7-15-31/h8-9,12,16-21,23,28-31,38,45H,5-7,10-11,13-15,22,24-27H2,1-4H3,(H2,41,42,47)/t28-,29+,30-,38+/m0/s1
InChIKeyDTGXRBNGNVLSQA-UUIBUHDGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9S,10S)-9-[[cyclohexylmethyl(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:126736) is a azamacrocycle (CHEBI:52898)
1-[(3S,9S,10S)-9-[[cyclohexylmethyl(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:126736) is a lactam (CHEBI:24995)
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