Exact Mass: 581.2600994
Exact Mass Matches: 581.2600994
Found 409 metabolites which its exact mass value is equals to given mass value 581.2600994
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Streptomycin
Streptomycin is an aminoglycoside antibiotic produced by the soil actinomycete Streptomyces griseus. It acts by binding to the 30S ribosomal subunit of susceptible organisms and disrupting the initiation and elongation steps in protein synthesis. It is bactericidal due to effects that are not fully understood. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AA - Antibiotics J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials > J01GA - Streptomycins C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic KEIO_ID S031
Ergotamine
Ergotamine is only found in individuals that have used or taken this drug. It is a vasoconstrictor found in ergot of Central Europe. It is an alpha-1 selective adrenergic agonist and is commonly used in the treatment of migraine disorders. [PubChem]Ergotamine acts on migraine by one of two proposed mechanisms: 1) activation of 5-HT1D receptors located on intracranial blood vessels, including those on arterio-venous anastomoses, leads to vasoconstriction, which correlates with the relief of migraine headache, and 2) activation of 5-HT1D receptors on sensory nerve endings of the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist > C61751 - Ergotamine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D012102 - Reproductive Control Agents > D010120 - Oxytocics
N3-Acetylapramycin
Ergotaminine
Streptomycin sulfate
(+)-10-O-(-beta-glucopyranosyl)-8alpha-(4-hydroxybenzyl)-2-methoxyberbin-3,9-diol|(+)-10-O-<-beta-glucopyranosyl>-8alpha-<4-hydroxybenzyl>-2-methoxyberbin-3,9-diol
O4-beta-Glucopyranoside-8-(4-Hydroxybenzyl)-2-methoxy-3,9,10-berbintriol
O10-beta-Glucopyranoside-8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol
Glu Tyr Arg Asp
streptomycin
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07A - Intestinal antiinfectives > A07AA - Antibiotics A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01G - Aminoglycoside antibacterials > J01GA - Streptomycins C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
Bekanamycin sulfate
C18H39N5O14S (581.2214114000001)
C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
ergotamine
A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist > C61751 - Ergotamine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D012102 - Reproductive Control Agents > D010120 - Oxytocics CONFIDENCE Claviceps purpurea sclerotia
Cys His His Trp
Cys His Trp His
Cys Trp His His
Asp Asp Phe Trp
Asp Asp Trp Phe
Asp Glu Arg Tyr
Asp Glu Tyr Arg
Asp Phe Asp Trp
Asp Phe Trp Asp
Asp Arg Glu Tyr
Asp Arg Tyr Glu
Asp Val Trp Tyr
Asp Val Tyr Trp
Asp Trp Asp Phe
Asp Trp Phe Asp
Asp Trp Val Tyr
Asp Trp Tyr Val
Asp Tyr Glu Arg
Asp Tyr Arg Glu
Asp Tyr Val Trp
Asp Tyr Trp Val
Glu Asp Arg Tyr
Glu Asp Tyr Arg
Glu Phe Met Arg
C25H39N7O7S (581.2631544000001)
Glu Phe Arg Met
C25H39N7O7S (581.2631544000001)
Glu Phe Thr Trp
Glu Phe Trp Thr
Glu Met Phe Arg
C25H39N7O7S (581.2631544000001)
Glu Met Arg Phe
C25H39N7O7S (581.2631544000001)
Glu Arg Asp Tyr
Glu Arg Phe Met
C25H39N7O7S (581.2631544000001)
Glu Arg Met Phe
C25H39N7O7S (581.2631544000001)
Glu Arg Tyr Asp
Glu Thr Phe Trp
Glu Thr Trp Phe
Glu Trp Phe Thr
Glu Trp Thr Phe
Glu Tyr Asp Arg
Phe Asp Asp Trp
Phe Asp Trp Asp
Phe Glu Met Arg
C25H39N7O7S (581.2631544000001)
Phe Glu Arg Met
C25H39N7O7S (581.2631544000001)
Phe Glu Thr Trp
Phe Glu Trp Thr
Phe Met Glu Arg
C25H39N7O7S (581.2631544000001)
Phe Met Arg Glu
C25H39N7O7S (581.2631544000001)
Phe Met Val Trp
Phe Met Trp Val
Phe Pro Arg Tyr
C29H39N7O6 (581.2961674000001)
Phe Pro Tyr Arg
C29H39N7O6 (581.2961674000001)
Phe Arg Glu Met
C25H39N7O7S (581.2631544000001)
Phe Arg Met Glu
C25H39N7O7S (581.2631544000001)
Phe Arg Pro Tyr
C29H39N7O6 (581.2961674000001)
Phe Arg Tyr Pro
C29H39N7O6 (581.2961674000001)
Phe Thr Glu Trp
Phe Thr Trp Glu
Phe Val Met Trp
Phe Val Trp Met
Phe Trp Asp Asp
Phe Trp Glu Thr
Phe Trp Met Val
Phe Trp Thr Glu
Phe Trp Val Met
Phe Tyr Pro Arg
C29H39N7O6 (581.2961674000001)
Phe Tyr Arg Pro
C29H39N7O6 (581.2961674000001)
His Cys His Trp
His Cys Trp His
His His Cys Trp
His His Trp Cys
His Trp Cys His
His Trp His Cys
Ile Met Arg Tyr
Ile Met Tyr Arg
Ile Arg Met Tyr
Ile Arg Tyr Met
Ile Thr Trp Tyr
Ile Thr Tyr Trp
Ile Trp Thr Tyr
Ile Trp Tyr Thr
Ile Tyr Met Arg
Ile Tyr Arg Met
Ile Tyr Thr Trp
Ile Tyr Trp Thr
Leu Met Arg Tyr
Leu Met Tyr Arg
Leu Arg Met Tyr
Leu Arg Tyr Met
Leu Thr Trp Tyr
Leu Thr Tyr Trp
Leu Trp Thr Tyr
Leu Trp Tyr Thr
Leu Tyr Met Arg
Leu Tyr Arg Met
Leu Tyr Thr Trp
Leu Tyr Trp Thr
Met Glu Phe Arg
C25H39N7O7S (581.2631544000001)
Met Glu Arg Phe
C25H39N7O7S (581.2631544000001)
Met Phe Glu Arg
C25H39N7O7S (581.2631544000001)
Met Phe Arg Glu
C25H39N7O7S (581.2631544000001)
Met Phe Val Trp
Met Phe Trp Val
Met Ile Arg Tyr
Met Ile Tyr Arg
Met Leu Arg Tyr
Met Leu Tyr Arg
Met Arg Glu Phe
C25H39N7O7S (581.2631544000001)
Met Arg Phe Glu
C25H39N7O7S (581.2631544000001)
Met Arg Ile Tyr
Met Arg Leu Tyr
Met Arg Tyr Ile
Met Arg Tyr Leu
Met Val Phe Trp
Met Val Trp Phe
Met Trp Phe Val
Met Trp Val Phe
Met Tyr Ile Arg
Met Tyr Leu Arg
Met Tyr Arg Ile
Met Tyr Arg Leu
Pro Phe Arg Tyr
C29H39N7O6 (581.2961674000001)
Pro Phe Tyr Arg
C29H39N7O6 (581.2961674000001)
Pro Arg Phe Tyr
C29H39N7O6 (581.2961674000001)
Pro Arg Tyr Phe
C29H39N7O6 (581.2961674000001)
Pro Tyr Phe Arg
C29H39N7O6 (581.2961674000001)
Pro Tyr Arg Phe
C29H39N7O6 (581.2961674000001)
Arg Asp Glu Tyr
Arg Asp Tyr Glu
Arg Glu Asp Tyr
Arg Glu Phe Met
C25H39N7O7S (581.2631544000001)
Arg Glu Met Phe
C25H39N7O7S (581.2631544000001)
Arg Glu Tyr Asp
Arg Phe Glu Met
C25H39N7O7S (581.2631544000001)
Arg Phe Met Glu
C25H39N7O7S (581.2631544000001)
Arg Phe Pro Tyr
C29H39N7O6 (581.2961674000001)
Arg Phe Tyr Pro
C29H39N7O6 (581.2961674000001)
Arg Ile Met Tyr
Arg Ile Tyr Met
Arg Leu Met Tyr
Arg Leu Tyr Met
Arg Met Glu Phe
C25H39N7O7S (581.2631544000001)
Arg Met Phe Glu
C25H39N7O7S (581.2631544000001)
Arg Met Ile Tyr
Arg Met Leu Tyr
Arg Met Tyr Ile
Arg Met Tyr Leu
Arg Pro Phe Tyr
C29H39N7O6 (581.2961674000001)
Arg Pro Tyr Phe
C29H39N7O6 (581.2961674000001)
Arg Tyr Asp Glu
Arg Tyr Glu Asp
Arg Tyr Phe Pro
C29H39N7O6 (581.2961674000001)
Arg Tyr Ile Met
Arg Tyr Leu Met
Arg Tyr Met Ile
Arg Tyr Met Leu
Arg Tyr Pro Phe
C29H39N7O6 (581.2961674000001)
Thr Glu Phe Trp
Thr Glu Trp Phe
Thr Phe Glu Trp
Thr Phe Trp Glu
Thr Ile Trp Tyr
Thr Ile Tyr Trp
Thr Leu Trp Tyr
Thr Leu Tyr Trp
Thr Trp Glu Phe
Thr Trp Phe Glu
Thr Trp Ile Tyr
Thr Trp Leu Tyr
Thr Trp Tyr Ile
Thr Trp Tyr Leu
Thr Tyr Ile Trp
Thr Tyr Leu Trp
Thr Tyr Trp Ile
Thr Tyr Trp Leu
Val Asp Trp Tyr
Val Asp Tyr Trp
Val Phe Met Trp
Val Phe Trp Met
Val Met Phe Trp
Val Met Trp Phe
Val Trp Asp Tyr
Val Trp Phe Met
Val Trp Met Phe
Val Trp Tyr Asp
Val Tyr Asp Trp
Val Tyr Trp Asp
Trp Cys His His
Trp Asp Asp Phe
Trp Asp Phe Asp
Trp Asp Val Tyr
Trp Asp Tyr Val
Trp Glu Phe Thr
Trp Glu Thr Phe
Trp Phe Asp Asp
Trp Phe Glu Thr
Trp Phe Met Val
Trp Phe Thr Glu
Trp Phe Val Met
Trp His Cys His
Trp His His Cys
Trp Ile Thr Tyr
Trp Ile Tyr Thr
Trp Leu Thr Tyr
Trp Leu Tyr Thr
Trp Met Phe Val
Trp Met Val Phe
Trp Thr Glu Phe
Trp Thr Phe Glu
Trp Thr Ile Tyr
Trp Thr Leu Tyr
Trp Thr Tyr Ile
Trp Thr Tyr Leu
Trp Val Asp Tyr
Trp Val Phe Met
Trp Val Met Phe
Trp Val Tyr Asp
Trp Tyr Asp Val
Trp Tyr Ile Thr
Trp Tyr Leu Thr
Trp Tyr Thr Ile
Trp Tyr Thr Leu
Trp Tyr Val Asp
Tyr Asp Glu Arg
Tyr Asp Arg Glu
Tyr Asp Val Trp
Tyr Asp Trp Val
Tyr Glu Asp Arg
Tyr Glu Arg Asp
Tyr Phe Pro Arg
C29H39N7O6 (581.2961674000001)
Tyr Phe Arg Pro
C29H39N7O6 (581.2961674000001)
Tyr Ile Met Arg
Tyr Ile Arg Met
Tyr Ile Thr Trp
Tyr Ile Trp Thr
Tyr Leu Met Arg
Tyr Leu Arg Met
Tyr Leu Thr Trp
Tyr Leu Trp Thr
Tyr Met Ile Arg
Tyr Met Leu Arg
Tyr Met Arg Ile
Tyr Met Arg Leu
Tyr Pro Phe Arg
C29H39N7O6 (581.2961674000001)
Tyr Pro Arg Phe
C29H39N7O6 (581.2961674000001)
Tyr Arg Asp Glu
Tyr Arg Glu Asp
Tyr Arg Phe Pro
C29H39N7O6 (581.2961674000001)
Tyr Arg Ile Met
Tyr Arg Leu Met
Tyr Arg Met Ile
Tyr Arg Met Leu
Tyr Arg Pro Phe
C29H39N7O6 (581.2961674000001)
Tyr Thr Ile Trp
Tyr Thr Leu Trp
Tyr Thr Trp Ile
Tyr Thr Trp Leu
Tyr Val Asp Trp
Tyr Val Trp Asp
Tyr Trp Asp Val
Tyr Trp Ile Thr
Tyr Trp Leu Thr
Tyr Trp Thr Ile
Tyr Trp Thr Leu
Tyr Trp Val Asp
3-[2-[(5-Ethyl-2-pyridinyl)ethoxy]phenyl] Pioglitazone
1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-[(2R)-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1H-indole-7-carbonitrile
N-[1,1-Biphenyl]-3-yl-N-(9,9-diethyl-9H-fluoren-2-yl)-9,9-dimethyl-9H-fluoren-2-amine
Avacopan
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants C308 - Immunotherapeutic Agent
Tafenoquine succinate
C28H34F3N3O7 (581.2348730000001)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
1,1-((1S,2S,3R,4S,5S,6R)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-methyltetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
N-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
C34H39N5O4 (581.3001893999999)
1-Palmitoyl-2-(5-oxovaleroyl)-sn-phosphatidylglycerol(1-)
C27H50O11P- (581.3090579999999)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
1-(2,5-difluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-[[(2R,3R)-8-(4-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
4-chloro-N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
1-[[(2R,3S)-8-(4-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3S)-8-(4-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
2,2,2-trifluoro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylethanesulfonamide
1-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
1-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
C33H35N5O3S (581.2460480000001)
2,2,2-trifluoro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylethanesulfonamide
1-[[(2R,3R)-8-(4-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3S)-8-(4-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2R,3S)-8-(4-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
1-[[(2S,3R)-8-(4-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
C33H35N5O3S (581.2460480000001)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
N-[[(3S,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[[(3R,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
C34H39N5O4 (581.3001893999999)
4-chloro-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
4-chloro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
4-chloro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
1-(2,5-difluorophenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2,5-difluorophenyl)-3-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2,5-difluorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2,5-difluorophenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
N-[[(3S,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[[(3R,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[[(3R,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[[(3S,9S,10S)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
N-[[(3S,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[[(3R,9S,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
C28H43N3O6S2 (581.2593138000001)
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
C34H39N5O4 (581.3001893999999)
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
C34H39N5O4 (581.3001893999999)
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
C34H39N5O4 (581.3001893999999)
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
C34H39N5O4 (581.3001893999999)
4-chloro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
C34H39N5O4 (581.3001893999999)
4-chloro-N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
C34H39N5O4 (581.3001893999999)
4-chloro-N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
4-chloro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
4-chloro-N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
4-chloro-N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
4-chloro-N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
C28H40ClN3O6S (581.2326210000001)
1-(2,5-difluorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2,5-difluorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
1-(2,5-difluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
2,2,2-trifluoro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylethanesulfonamide
2,2,2-trifluoro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylethanesulfonamide
2,2,2-trifluoro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylethanesulfonamide
2,2,2-trifluoro-N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylethanesulfonamide
2-[(1S,2R,3R,4S,5R,6R)-2-[(2S,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine
(E)-N-[2-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-3,4-dihydroxy-3,4-dihydro-2H-pyran-5-yl]-11-methyldodec-2-enamide
N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynon-4-en-2-yl]pentanamide
N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]hexanamide
N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydec-4-en-2-yl]butanamide
N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydodec-4-en-2-yl]acetamide
N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyundec-4-en-2-yl]propanamide
N-[5-amino-2-[[7-amino-2-[5-amino-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]oxy]-3,4-dihydroxycyclohexyl]acetamide
biliverdin delta(1-)
C33H33N4O6 (581.2399978000001)
A linear tetrapyrrole anion obtained by deprotonation of the two carboxy groups and protonation of the imine nitrogen of biliverdin delta; It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Bemnifosbuvir
C24H33FN7O7P (581.2163009999999)
Bemnifosbuvir (AT-511) is a potent and orally active HCV viral replication inhibitor. Bemnifosbuvir is highly effective in the control of SARS-CoV-2 (COVID-19) infection in vitro (EC90=0.47 μM). Bemnifosbuvir has pangenotypic antiviral activity[1][2][3].