CHEBI:129368 - N-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]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]-1-methyl-4-imidazolesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]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]-1-methyl-4-imidazolesulfonamide
ChEBI ID CHEBI:129368
Stars This entity has been manually annotated by a third party.
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Formula C30H47N5O6S
Net Charge 0
Average Mass 605.791
Monoisotopic Mass 605.32471
InChI InChI=1S/C30H47N5O6S/c1-21-15-35(22(2)19-36)30(37)26-14-25(32-42(38,39)29-18-34(5)20-31-29)11-12-27(26)41-23(3)8-6-7-13-40-28(21)17-33(4)16-24-9-10-24/h11-12,14,18,20-24,28,32,36H,6-10,13,15-17,19H2,1-5H3/t21-,22+,23-,28-/m1/s1
InChIKey DFAHTHVTMMOLJD-JTNFPWQOSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@@H](C)CO)C)CN(C)CC4CC4
ChEBI Ontology
Outgoing N-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]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]-1-methyl-4-imidazolesulfonamide (CHEBI:129368) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10R)-9-[[cyclopropylmethyl(methyl)amino]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]-1-methyl-4-imidazolesulfonamide (CHEBI:129368) is a lactam (CHEBI:24995)
Manual Xref Database
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Last Modified
03 March 2016