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CHEBI:130356 - N'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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:130356
ChEBI NameN'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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
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DownloadsMolfile
FormulaC36H55N5O6
Net Charge0
Average Mass653.865
Monoisotopic Mass653.41523
SMILESC[C@H]1CCCCO[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O1
InChIInChI=1S/C36H55N5O6/c1-25-22-41(26(2)24-42)36(45)29-21-28(18-19-32(29)47-27(3)13-11-12-20-46-33(25)23-40(4)5)38-34(43)16-7-6-8-17-35(44)39-31-15-10-9-14-30(31)37/h9-10,14-15,18-19,21,25-27,33,42H,6-8,11-13,16-17,20,22-24,37H2,1-5H3,(H,38,43)(H,39,44)/t25-,26-,27-,33+/m0/s1
InChIKeyPNYYFPKFZGOVKX-CLFOAKAGSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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:130356) is a azamacrocycle (CHEBI:52898)
N'-(2-aminophenyl)-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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:130356) is a lactam (CHEBI:24995)
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