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CHEBI:127234 - N'-(2-aminophenyl)-N-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]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]heptanediamide

ChEBI IDCHEBI:127234
ChEBI NameN'-(2-aminophenyl)-N-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]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]heptanediamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC41H56ClN5O8S
Net Charge0
Average Mass814.446
Monoisotopic Mass813.35381
SMILESC[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O1
InChIInChI=1S/C41H56ClN5O8S/c1-28-25-47(29(2)27-48)41(51)34-24-32(44-39(49)15-6-5-7-16-40(50)45-36-14-9-8-13-35(36)43)19-22-37(34)55-30(3)12-10-11-23-54-38(28)26-46(4)56(52,53)33-20-17-31(42)18-21-33/h8-9,13-14,17-22,24,28-30,38,48H,5-7,10-12,15-16,23,25-27,43H2,1-4H3,(H,44,49)(H,45,50)/t28-,29+,30+,38+/m0/s1
InChIKeyOCKJGHCECNQZJG-HYZIGPPZSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]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]heptanediamide (CHEBI:127234) is a azamacrocycle (CHEBI:52898)
N'-(2-aminophenyl)-N-[(3R,9S,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]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]heptanediamide (CHEBI:127234) is a lactam (CHEBI:24995)
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