CAS RN: 162635-04-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H87NO16
MOLECULAR WEIGHT: 1030.28708
SMILES: C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC
Structure:
CAS RN: 152658-17-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H33ClN2O5
MOLECULAR WEIGHT: 513.02502
SMILES: CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)/C=C/C7=COC=C7.Cl
Structure:
CAS RN: 160146-17-8
CAS Name: 4-[(1R,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
OPENEYE Name: 4-[(1R,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
IUPAC Name: 4-[(1R,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
SYSTEMATIC NAME: 4-[(1R,2S)-3-(4-fluorophenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)propyl]benzenecarbonitrile
MOLECULAR FORMULA: C18H15FN4O
MOLECULAR WEIGHT: 322.336303
SMILES: C1=CC(=CC=C1C[C@@H]([C@@H](C2=CC=C(C=C2)C#N)N3C=NC=N3)O)F
Structure:
CAS RN: 143484-82-6
CAS Name: 4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methylthio]aniline dihydrochloride
OPENEYE Name: 4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride
IUPAC Name: 4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride
SYSTEMATIC NAME: 4-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride
MOLECULAR FORMULA: C22H26Cl3N3O2S
MOLECULAR WEIGHT: 502.88474
SMILES: C1[C@H](O[C@@](O1)(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)CSC4=CC=C(C=C4)N.Cl.Cl
Structure:
CAS RN: 156294-36-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H53NO14
MOLECULAR WEIGHT: 831.90062
SMILES: CC1=C2[C@H](C(=O)[C@]34C[C@H]3C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)OC(=O)C
Structure:
CAS RN: 202057-76-9
CAS Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxo-6-heptynenitrile
OPENEYE Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylene]-3-oxo-hept-6-ynenitrile
IUPAC Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)anilino]methylidene]-3-oxohept-6-ynenitrile
SYSTEMATIC NAME: (2Z)-3-oxidanylidene-2-[oxidanyl-[[4-(trifluoromethyl)phenyl]amino]methylidene]hept-6-ynenitrile
MOLECULAR FORMULA: C15H11F3N2O2
MOLECULAR WEIGHT: 308.25525
SMILES: C#CCCC(=O)/C(=C(/NC1=CC=C(C=C1)C(F)(F)F)\O)/C#N
Structure:
CAS RN: 144912-63-0
CAS Name: 2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-6-yl)ethylphosphonic acid
OPENEYE Name: 2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-6-yl)ethylphosphonic acid
IUPAC Name: 2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-6-yl)ethylphosphonic acid
SYSTEMATIC NAME: 2-[8,9-bis(oxidanylidene)-2,6-diazabicyclo[5.2.0]non-1(7)-en-6-yl]ethylphosphonic acid
MOLECULAR FORMULA: C9H13N2O5P
MOLECULAR WEIGHT: 260.183681
SMILES: C1CNC2=C(C(=O)C2=O)N(C1)CCP(=O)(O)O
Structure:
CAS RN: 140128-74-1
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-3-[(2H-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H14N8O5S4
MOLECULAR WEIGHT: 514.58226
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O)/C3=CSC(=N3)N)C(=O)O)SCSC4=NNN=C4
Structure:
CAS RN: 149003-01-0
CAS Name: 4-[(2S)-2-(3,5-dioxo-1-piperazinyl)propyl]piperazine-2,6-dione hydrochloride
OPENEYE Name: 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione hydrochloride
IUPAC Name: 4-[(2S)-2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione hydrochloride
SYSTEMATIC NAME: 4-[(2S)-2-[3,5-bis(oxidanylidene)piperazin-1-yl]propyl]piperazine-2,6-dione hydrochloride
MOLECULAR FORMULA: C11H17ClN4O4
MOLECULAR WEIGHT: 304.73008
SMILES: C[C@@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.Cl
Structure:
CAS RN: 129580-63-8
CAS Name: acetic acid; ammonia; cyclohexanamine; dichloroplatinum
OPENEYE Name: acetic acid; ammonia; cyclohexanamine; dichloroplatinum
IUPAC Name: acetic acid; azane; cyclohexanamine; dichloroplatinum
SYSTEMATIC NAME: azane; bis(chloranyl)platinum; cyclohexanamine; ethanoic acid
MOLECULAR FORMULA: C10H24Cl2N2O4Pt
MOLECULAR WEIGHT: 502.29256
SMILES: CC(=O)O.CC(=O)O.C1CCC(CC1)N.N.Cl[Pt]Cl
Structure:
CAS RN: 141702-36-5
CAS Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-2-oxolanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
OPENEYE Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: (5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C17H19NO8S
MOLECULAR WEIGHT: 397.39966
SMILES: CC1=C(OC(=O)O1)COC(=O)C2=C(S[C@H]3N2C(=O)[C@@H]3[C@@H](C)O)[C@H]4CCCO4
Structure:
CAS RN: 141646-08-4
CAS Name: (1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid 1-[cyclohexyloxy(oxo)methoxy]ethyl ester
OPENEYE Name: 1-(cyclohexoxycarbonyloxy)ethyl (1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylate
IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl (1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylate
SYSTEMATIC NAME: 1-cyclohexyloxycarbonyloxyethyl (1S,5S,8aS,8bR)-5-methoxy-1-[(1R)-1-oxidanylethyl]-2-oxidanylidene-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylate
MOLECULAR FORMULA: C23H33NO8
MOLECULAR WEIGHT: 451.51002
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)OC(C)OC(=O)OC4CCCCC4)OC)O
Structure:
CAS RN: 139681-18-8
CAS Name: 4-(2,2-dimethyl-1-oxopropyl)benzoic acid [(Z)-[4-(2,2-dimethyl-1-oxopropyl)phenyl]-methoxyiminomethyl] ester
OPENEYE Name: [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-methoxy-carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
IUPAC Name: [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-methoxycarbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
SYSTEMATIC NAME: [(Z)-C-[4-(2,2-dimethylpropanoyl)phenyl]-N-methoxy-carbonimidoyl] 4-(2,2-dimethylpropanoyl)benzoate
MOLECULAR FORMULA: C25H29NO5
MOLECULAR WEIGHT: 423.50146
SMILES: CC(C)(C)C(=O)C1=CC=C(C=C1)/C(=N/OC)/OC(=O)C2=CC=C(C=C2)C(=O)C(C)(C)C
Structure:
CAS RN: 150399-23-8
CAS Name: disodium (2S)-2-[[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioate
OPENEYE Name: disodium (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
IUPAC Name: disodium (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: disodium (2S)-2-[[4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C20H19N5Na2O6
MOLECULAR WEIGHT: 471.3743
SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 129731-10-8
CAS Name: 6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
OPENEYE Name: 6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-benzotriazole
IUPAC Name: 6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
SYSTEMATIC NAME: 6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-benzotriazole
MOLECULAR FORMULA: C16H13ClN6
MOLECULAR WEIGHT: 324.76762
SMILES: CN1C2=C(C=CC(=C2)[C@H](C3=CC=C(C=C3)Cl)N4C=NC=N4)N=N1
Structure:
CAS RN: 66852-54-8
CAS Name: propanoic acid [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloro-1-oxoethyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
SYSTEMATIC NAME: [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloranylethanoyl)-6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
MOLECULAR FORMULA: C25H31ClF2O5
MOLECULAR WEIGHT: 484.960446
SMILES: CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)CCl
Structure:
CAS RN: 148408-65-5
CAS Name: 1-[[(7S,9aS)-2-(2-pyrimidinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione hydrochloride
OPENEYE Name: 1-[[(7S,9aS)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione hydrochloride
IUPAC Name: 1-[[(7S,9aS)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione hydrochloride
SYSTEMATIC NAME: 1-[[(7S,9aS)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]pyrrolidine-2,5-dione hydrochloride
MOLECULAR FORMULA: C17H24ClN5O2
MOLECULAR WEIGHT: 365.85776
SMILES: C1C[C@H]2CN(CCN2C[C@H]1CN3C(=O)CCC3=O)C4=NC=CC=N4.Cl
Structure:
CAS RN: 126544-47-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H44O7
MOLECULAR WEIGHT: 540.68756
SMILES: CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6
Structure:
CAS RN: 141845-82-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H44O7
MOLECULAR WEIGHT: 540.68756
SMILES: CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6
Structure:
CAS RN: 123482-23-5
CAS Name: (Z)-2-butenedioic acid; 5-chloro-2,2-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-benzofuran-7-carboxamide
OPENEYE Name: 5-chloro-2,2-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-benzofuran-7-carboxamide; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 5-chloro-2,2-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 5-chloranyl-2,2-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C23H29ClN2O6
MOLECULAR WEIGHT: 464.93916
SMILES: CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 105882-69-7
CAS Name: (2R,3R,6R,7R,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)
OPENEYE Name: (2R,3R,6R,7R,8S,9R,10R)-3-[(1R,2R)-1,2-dihydroxy-1-methyl-butyl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabi
IUPAC Name: (2R,3R,6R,7R,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-
SYSTEMATIC NAME: (2R,3R,6R,7R,8S,9R,10R)-3-[(2R,3R)-2,3-bis(oxidanyl)pentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1
MOLECULAR FORMULA: C37H65NO12
MOLECULAR WEIGHT: 715.9115
SMILES: CC[C@H]([C@](C)([C@H]1[C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)O
Structure:
CAS RN: 81846-19-7
CAS Name: 2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
OPENEYE Name: 2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
IUPAC Name: 2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
SYSTEMATIC NAME: 2-[[(1R,2R,3aS,9aS)-2-oxidanyl-1-[(3S)-3-oxidanyloctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O
Structure:
CAS RN: 130693-82-2
CAS Name: (4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide hydrochloride
OPENEYE Name: (4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide hydrochloride
IUPAC Name: (4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide hydrochloride
SYSTEMATIC NAME: (4S,6S)-4-(ethylamino)-6-methyl-7,7-bis(oxidanylidene)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide hydrochloride
MOLECULAR FORMULA: C10H17ClN2O4S3
MOLECULAR WEIGHT: 360.90098
SMILES: CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl
Structure:
CAS RN: 147816-23-7
CAS Name: (6R,7R)-7-[[(Z)-2-(2-amino-4-thiazolyl)-1-oxopent-2-enyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester hydrochloride
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-aminothiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (6R,7R)-3-(aminocarbonyloxymethyl)-7-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
MOLECULAR FORMULA: C23H30ClN5O8S2
MOLECULAR WEIGHT: 604.096
SMILES: CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.Cl
Structure:
CAS RN: 132112-35-7
CAS Name: (2S)-N-(2,6-dimethylphenyl)-1-propyl-2-piperidinecarboxamide hydrate hydrochloride
OPENEYE Name: (2S)-N-(2,6-dimethylphenyl)-1-propyl-piperidine-2-carboxamide hydrate hydrochloride
IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrate hydrochloride
SYSTEMATIC NAME: (2S)-N-(2,6-dimethylphenyl)-1-propyl-piperidine-2-carboxamide hydrate hydrochloride
MOLECULAR FORMULA: C17H29ClN2O2
MOLECULAR WEIGHT: 328.87736
SMILES: CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.O.Cl
Structure:
CAS RN: 120635-74-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H21N3O
MOLECULAR WEIGHT: 319.40024
SMILES: CC1=NC=CN1C[C@H]2CCC3=C(C2=O)C4=C5N3CCCC5=CC=C4
Structure:
CAS RN: 123258-84-4
CAS Name: N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3H-benzimidazole-1-carboxamide
OPENEYE Name: N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3H-benzimidazole-1-carboxamide
IUPAC Name: N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-3H-benzimidazole-1-carboxamide
SYSTEMATIC NAME: N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxidanylidene-3H-benzimidazole-1-carboxamide
MOLECULAR FORMULA: C16H20N4O2
MOLECULAR WEIGHT: 300.3556
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)N3C4=CC=CC=C4NC3=O
Structure:
CAS RN: 120788-07-0
CAS Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(3S)-1-oxo-3-thiolanyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(3S)-1-oxidanylidenethiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C12H15NO5S3
MOLECULAR WEIGHT: 349.4462
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@H]3CCS(=O)C3)C(=O)O)O
Structure:
CAS RN: 117091-64-2
CAS Name: [4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate
OPENEYE Name: [4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxy-phenyl] dihydrogen phosphate
IUPAC Name: [4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate
SYSTEMATIC NAME: [4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-2-methyl-7,8-bis(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxy-phenyl] dihydrogen phosphate
MOLECULAR FORMULA: C29H33O16P
MOLECULAR WEIGHT: 668.536481
SMILES: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OP(=O)(O)O)OC)O)O
Structure:
CAS RN: 115622-58-7
CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[[6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinyl]-oxomethoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[[6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carbonyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carbonyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonyloxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-car
MOLECULAR FORMULA: C31H31F3N8O8S2
MOLECULAR WEIGHT: 764.75185
SMILES: CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)OCC4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N/OC)/C6=CSC(=N6)N)SC4)C(=O)O)CCF)F
Structure:
CAS RN: 145108-58-3
CAS Name: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
OPENEYE Name: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
IUPAC Name: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
SYSTEMATIC NAME: 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
MOLECULAR FORMULA: C13H17ClN2
MOLECULAR WEIGHT: 236.74048
SMILES: CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C.Cl
Structure:
CAS RN: 129101-54-8
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; N-ethyl-N-methylcarbamic acid [3-[(1S)-1-(dimethylamino)ethyl]phenyl] ester
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methyl-carbamate
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methyl-carbamate
MOLECULAR FORMULA: C18H28N2O8
MOLECULAR WEIGHT: 400.42352
SMILES: CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 22933-72-8
CAS Name: (3E)-3-[[4-[(6-methoxy-3-pyridazinyl)sulfamoyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid
OPENEYE Name: (3E)-3-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid
IUPAC Name: (3E)-3-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
SYSTEMATIC NAME: (3E)-3-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid
MOLECULAR FORMULA: C18H15N5O6S
MOLECULAR WEIGHT: 429.4066
SMILES: COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N/N=C/3\C=CC(=O)C(=C3)C(=O)O
Structure:
CAS RN: 126165-79-5
CAS Name: 6-acetyl-2-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
OPENEYE Name: 6-acetyl-2-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
IUPAC Name: 6-acetyl-2-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
SYSTEMATIC NAME: 2-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-6-ethanoyl-3-oxidanylidene-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
MOLECULAR FORMULA: C15H16N6O6S
MOLECULAR WEIGHT: 408.38914
SMILES: CC(=O)C1=C(N2C(=O)C(CN2C1)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)C(=O)O
Structure:
No comments:
Post a Comment