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CHEBI:128059 - N'-(2-aminophenyl)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]heptanediamide

ChEBI IDCHEBI:128059
ChEBI NameN'-(2-aminophenyl)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]heptanediamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC42H59N5O6
Net Charge0
Average Mass729.963
Monoisotopic Mass729.44653
SMILESC[C@@H]1CCCCO[C@H](CN(C)Cc2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O1
InChIInChI=1S/C42H59N5O6/c1-30-26-47(31(2)29-48)42(51)35-25-34(44-40(49)20-9-6-10-21-41(50)45-37-19-12-11-18-36(37)43)22-23-38(35)53-32(3)15-13-14-24-52-39(30)28-46(4)27-33-16-7-5-8-17-33/h5,7-8,11-12,16-19,22-23,25,30-32,39,48H,6,9-10,13-15,20-21,24,26-29,43H2,1-4H3,(H,44,49)(H,45,50)/t30-,31-,32+,39+/m0/s1
InChIKeyZJSZSWKNFIYZAP-RXWODINSSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]heptanediamide (CHEBI:128059) is a azamacrocycle (CHEBI:52898)
N'-(2-aminophenyl)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]heptanediamide (CHEBI:128059) is a lactam (CHEBI:24995)
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