CAS RN: 53914-14-0
CAS Name: 3-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-dimethyl-1-propanamine
OPENEYE Name: 3-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-dimethyl-propan-1-amine
IUPAC Name: 3-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 3-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C17H31NO6
MOLECULAR WEIGHT: 345.43114
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCCCN(C)C)C
Structure:
CAS RN: 54964-84-0
CAS Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]pyrimidine-2,4-dione
IUPAC Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C16H24N2O11
MOLECULAR WEIGHT: 420.36856
SMILES: C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O
Structure:
CAS RN: 53892-41-4
CAS Name: 2,3-bis(1-oxohexoxy)propyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: 2,3-di(hexanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: 2,3-di(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 2,3-di(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C20H40NO8P
MOLECULAR WEIGHT: 453.507261
SMILES: CCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC
Structure:
CAS RN: 53821-43-5
CAS Name: (3R,4S,5R)-2-(6-azido-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (3R,4S,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (3R,4S,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (3R,4S,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H11N7O4
MOLECULAR WEIGHT: 293.23884
SMILES: C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=[N+]=[N-]
Structure:
CAS RN: 53663-08-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H38O12
MOLECULAR WEIGHT: 566.59412
SMILES: CC(C)C(=CC(=O)OC1C2C34COC2(C(C(C3C(C(CC4OC1=O)C(=O)C)(C)CC(=O)OC)O)O)C(=O)OC)C
Structure:
CAS RN: 5450-75-9
CAS Name: (1S)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
OPENEYE Name: (1S)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
IUPAC Name: (1S)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
SYSTEMATIC NAME: (1S)-1,2-dimethyl-3,4-dihydro-1H-isoquinoline-6,7-diol
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: C[C@H]1C2=CC(=C(C=C2CCN1C)O)O
Structure:
CAS RN: 53459-52-2
CAS Name: 3-bis(2-chloroethylamino)phosphoryloxypropanoic acid
OPENEYE Name: 3-bis(2-chloroethylamino)phosphoryloxypropanoic acid
IUPAC Name: 3-bis(2-chloroethylamino)phosphoryloxypropanoic acid
SYSTEMATIC NAME: 3-bis(2-chloroethylamino)phosphoryloxypropanoic acid
MOLECULAR FORMULA: C7H15Cl2N2O4P
MOLECULAR WEIGHT: 293.084761
SMILES: C(COP(=O)(NCCCl)NCCCl)C(=O)O
Structure:
CAS RN: 102622-96-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H36N4O9
MOLECULAR WEIGHT: 644.67104
SMILES: CN[C@H]1CO[C@H](C[C@@H]1O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8NC7=C53)C(=O)N(C6=O)C)O)O)OC
Structure:
CAS RN: 102622-95-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H34N4O9
MOLECULAR WEIGHT: 630.64446
SMILES: CN1C(=O)C2=C3C4=CC=CC=C4NC3=C5C(=C2C1=O)C6=CC=CC=C6N5C7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8C[C@@H]([C@H](CO8)N)O)OC)O)O
Structure:
CAS RN: 102416-40-0
CAS Name: 4-hexoxy-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 4-hexoxyfuro[3,2-g]chromen-7-one
IUPAC Name: 4-hexoxyfuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 4-hexoxyfuro[3,2-g]chromen-7-one
MOLECULAR FORMULA: C17H18O4
MOLECULAR WEIGHT: 286.32242
SMILES: CCCCCCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3
Structure:
CAS RN: 102416-29-5
CAS Name: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-[(2-carboxyphenyl)-oxomethoxy]-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxy-oxomethyl]benzoic acid
OPENEYE Name: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
IUPAC Name: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
SYSTEMATIC NAME: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(2-carboxyphenyl)carbonyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
MOLECULAR FORMULA: C46H56O8
MOLECULAR WEIGHT: 736.93204
SMILES: C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O
Structure:
CAS RN: 102411-06-3
CAS Name: (2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chloro-phenyl)methyl]-2-chloro-anilino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-6-[4-[(4-amino-3-chlorophenyl)methyl]-2-chloroanilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-phenyl]amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C19H20Cl2N2O6
MOLECULAR WEIGHT: 443.2779
SMILES: C1=CC(=C(C=C1CC2=CC(=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Cl)N
Structure:
CAS RN: 102409-60-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H17N3O6
MOLECULAR WEIGHT: 323.30128
SMILES: C1C2C(N2)C3(C(C4=C(N1O3)C=C(C=C4O)CO)COC(=O)N)O
Structure:
CAS RN: 53342-16-8
CAS Name: (3S,9S,12R)-6,6-dimethyl-9-[6-[(2S)-2-oxiranyl]-6-oxohexyl]-3-(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
OPENEYE Name: (3S,9S,12R)-3-benzyl-6,6-dimethyl-9-[6-[(2S)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
IUPAC Name: (3S,9S,12R)-3-benzyl-6,6-dimethyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
SYSTEMATIC NAME: (3S,9S,12R)-6,6-dimethyl-9-[6-oxidanylidene-6-[(2S)-oxiran-2-yl]hexyl]-3-(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
MOLECULAR FORMULA: C28H38N4O6
MOLECULAR WEIGHT: 526.62452
SMILES: CC1(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)CCCCCC(=O)[C@@H]3CO3)CC4=CC=CC=C4)C
Structure:
CAS RN: 5424-27-1
CAS Name: (3S,9S,12R)-6,6-dimethyl-9-[6-[(2S)-2-oxiranyl]-6-oxohexyl]-3-(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
OPENEYE Name: (3S,9S,12R)-3-benzyl-6,6-dimethyl-9-[6-[(2S)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
IUPAC Name: (3S,9S,12R)-3-benzyl-6,6-dimethyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
SYSTEMATIC NAME: (3S,9S,12R)-6,6-dimethyl-9-[6-oxidanylidene-6-[(2S)-oxiran-2-yl]hexyl]-3-(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
MOLECULAR FORMULA: C28H38N4O6
MOLECULAR WEIGHT: 526.62452
SMILES: CC1(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)CCCCCC(=O)[C@@H]3CO3)CC4=CC=CC=C4)C
Structure:
CAS RN: 5421-70-5
CAS Name: (2R)-2-amino-3-mercaptopropanoic acid [(2-chloroethylamino)-oxomethyl] ester
OPENEYE Name: 2-chloroethylcarbamoyl (2R)-2-amino-3-sulfanyl-propanoate
IUPAC Name: 2-chloroethylcarbamoyl (2R)-2-amino-3-sulfanylpropanoate
SYSTEMATIC NAME: 2-chloroethylcarbamoyl (2R)-2-azanyl-3-sulfanyl-propanoate
MOLECULAR FORMULA: C6H11ClN2O3S
MOLECULAR WEIGHT: 226.68114
SMILES: C(CCl)NC(=O)OC(=O)[C@H](CS)N
Structure:
CAS RN: 5413-13-8
CAS Name: (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
OPENEYE Name: (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran
IUPAC Name: (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
SYSTEMATIC NAME: (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
MOLECULAR FORMULA: C24H32O7
MOLECULAR WEIGHT: 432.50668
SMILES: C[C@H]1[C@@H](C(O[C@@H]1C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C
Structure:
CAS RN: 53250-50-3
CAS Name: (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
OPENEYE Name: (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran
IUPAC Name: (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
SYSTEMATIC NAME: (2S,3S,4S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
MOLECULAR FORMULA: C24H32O7
MOLECULAR WEIGHT: 432.50668
SMILES: C[C@H]1[C@@H](C(O[C@@H]1C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C
Structure:
CAS RN: 5410-40-2
CAS Name: (2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)-9-purinyl]-2-oxolanyl]methylthio]butanoic acid
OPENEYE Name: (2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methylsulfanyl]butanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-[[(2S,3S,4R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
MOLECULAR FORMULA: C15H22N6O5S
MOLECULAR WEIGHT: 398.43738
SMILES: CNC1=NC=NC2=C1N=CN2C3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O
Structure:
CAS RN: 53222-25-6
CAS Name: 2-amino-4-[(6-amino-1-methyl-4-quinolin-1-iumyl)amino]-N-[4-[(1-methyl-4-pyridin-1-iumyl)amino]phenyl]benzamide diiodide
OPENEYE Name: 2-amino-4-[(6-amino-1-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide
IUPAC Name: 2-amino-4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide
SYSTEMATIC NAME: 2-azanyl-4-[(6-azanyl-1-methyl-quinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide
MOLECULAR FORMULA: C29H29I2N7O
MOLECULAR WEIGHT: 745.3958
SMILES: C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)N)N.[I-].[I-]
Structure:
CAS RN: 53202-98-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H60O9
MOLECULAR WEIGHT: 660.8776
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4C1([C@]4(C)CO)OC(=O)C)O)C
Structure:
CAS RN: 53199-57-8
CAS Name: (2S)-2-amino-4-[[(2S,3S,4R)-5-(4-amino-1-imidazo[4,5-c]pyridinyl)-3,4-dihydroxy-2-oxolanyl]methylthio]butanoic acid
OPENEYE Name: (2S)-2-amino-4-[[(2S,3S,4R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-[[(2S,3S,4R)-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
MOLECULAR FORMULA: C15H21N5O5S
MOLECULAR WEIGHT: 383.42274
SMILES: C1=CN=C(C2=C1N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Structure:
CAS RN: 53096-04-1
CAS Name: lead(2+) difluoride
OPENEYE Name: plumbous difluoride
IUPAC Name: lead(2+) difluoride
SYSTEMATIC NAME: lead(2+) difluoride
MOLECULAR FORMULA: F2Pb
MOLECULAR WEIGHT: 245.196806
SMILES: [F-].[F-].[Pb+2]
Structure:
CAS RN: 108709-97-3
CAS Name: 6-amino-2-[1-[(2-amino-3-imino-3-oxidopropyl)amino]-3-imino-3-oxidopropyl]-N-[1-[[3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[imino(oxido)methoxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[[5-[[1-[2-[4-[4-[(3-dimethylsulfoniopropylamino)-o
OPENEYE Name: ferric 6-amino-2-[1-[(2-amino-3-imino-3-oxido-propyl)amino]-3-imino-3-oxido-propyl]-N-[1-[[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(oxidocarbonimidoyl)oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-(1H-imidazol-5-yl)meth
IUPAC Name: 6-amino-2-[1-[(2-amino-3-imino-3-oxidopropyl)amino]-3-imino-3-oxidopropyl]-N-[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl
SYSTEMATIC NAME: 6-azanyl-2-[1-[(2-azanyl-3-azanylidene-3-oxidanidyl-propyl)amino]-3-azanylidene-3-oxidanidyl-propyl]-N-[1-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-me
MOLECULAR FORMULA: C55H80FeN17O21S3
MOLECULAR WEIGHT: 1467.365
SMILES: CC1=C(N=C(N=C1N)C(CC(=N)[O-])NCC(C(=N)[O-])N)C(=NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O)[O-].[Fe+3]
Structure:
CAS RN: 119759-79-4
CAS Name: 6-amino-2-[1-[(2-amino-3-imino-3-oxidopropyl)amino]-3-imino-3-oxidopropyl]-N-[1-[[3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[imino(oxido)methoxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[[5-[[1-[2-[4-[4-[(3-dimethylsulfoniopropylamino)-o
OPENEYE Name: ferric 6-amino-2-[1-[(2-amino-3-imino-3-oxido-propyl)amino]-3-imino-3-oxido-propyl]-N-[1-[[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(oxidocarbonimidoyl)oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-(1H-imidazol-5-yl)meth
IUPAC Name: 6-amino-2-[1-[(2-amino-3-imino-3-oxidopropyl)amino]-3-imino-3-oxidopropyl]-N-[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl
SYSTEMATIC NAME: 6-azanyl-2-[1-[(2-azanyl-3-azanylidene-3-oxidanidyl-propyl)amino]-3-azanylidene-3-oxidanidyl-propyl]-N-[1-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-me
MOLECULAR FORMULA: C55H80FeN17O21S3
MOLECULAR WEIGHT: 1467.365
SMILES: CC1=C(N=C(N=C1N)C(CC(=N)[O-])NCC(C(=N)[O-])N)C(=NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O)[O-].[Fe+3]
Structure:
CAS RN: 72028-04-7
CAS Name: 6-amino-2-[1-[(2-amino-3-imino-3-oxidopropyl)amino]-3-imino-3-oxidopropyl]-N-[1-[[3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[imino(oxido)methoxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-[[5-[[1-[2-[4-[4-[(3-dimethylsulfoniopropylamino)-o
OPENEYE Name: ferric 6-amino-2-[1-[(2-amino-3-imino-3-oxido-propyl)amino]-3-imino-3-oxido-propyl]-N-[1-[[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(oxidocarbonimidoyl)oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-(1H-imidazol-5-yl)meth
IUPAC Name: 6-amino-2-[1-[(2-amino-3-imino-3-oxidopropyl)amino]-3-imino-3-oxidopropyl]-N-[1-[3-[3,5-dihydroxy-6-(hydroxymethyl)-4-(C-oxidocarbonimidoyl)oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl
SYSTEMATIC NAME: 6-azanyl-2-[1-[(2-azanyl-3-azanylidene-3-oxidanidyl-propyl)amino]-3-azanylidene-3-oxidanidyl-propyl]-N-[1-[[5-[[1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-me
MOLECULAR FORMULA: C55H80FeN17O21S3
MOLECULAR WEIGHT: 1467.365
SMILES: CC1=C(N=C(N=C1N)C(CC(=N)[O-])NCC(C(=N)[O-])N)C(=NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=N)[O-])O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O)[O-].[Fe+3]
Structure:
CAS RN: 115082-72-9
CAS Name: 3-(4-azidophenyl)-2-[[[1-[2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-1-oxo-2-[[1-oxo-2-[[1-oxo-6-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]hexyl]amino]propyl]amino]pentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydrox
OPENEYE Name: 3-(4-azidophenyl)-2-[[1-[2-[[2-[[2-[[2-[[5-guanidino-2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]propanoylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pen
IUPAC Name: 3-(4-azidophenyl)-2-[[1-[2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]propanoylamino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amin
SYSTEMATIC NAME: 3-(4-azidophenyl)-2-[[1-[2-[[2-[[2-[[2-[[5-[bis(azanyl)methylideneamino]-2-[2-[6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]propanoylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl
MOLECULAR FORMULA: C65H95N19O13S
MOLECULAR WEIGHT: 1382.6343
SMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)N=[N+]=[N-])C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)CCCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6
Structure:
CAS RN: 32452-91-8
CAS Name: 5-(dodecylamino)-5-oxopentanoic acid [4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-3-oxanyl] ester
OPENEYE Name: [4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] 5-(dodecylamino)-5-oxo-pentanoate
IUPAC Name: [4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 5-(dodecylamino)-5-oxopentanoate
SYSTEMATIC NAME: [4-(dimethylamino)-2-[[14-ethyl-4-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] 5-(dodecylamino)-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C54H98N2O15
MOLECULAR WEIGHT: 1015.36032
SMILES: CCCCCCCCCCCCNC(=O)CCCC(=O)OC1C(CC(OC1OC2C(C(C(C(=O)OC(C(C(C(C(=O)C(CC2(C)O)C)C)O)(C)O)CC)C)OC3CC(C(C(O3)C)O)(C)OC)C)C)N(C)C
Structure:
CAS RN: 127061-56-7
CAS Name: potassium [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-3-furanyl] [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl] hydrogen phosphate
OPENEYE Name: potassium [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-3-furyl] [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] hydrogen phosphate
IUPAC Name: potassium [(5R)-5-[(1S)-1,2-dihydroxyethyl]-2-hydroxy-4-oxofuran-3-yl] [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] hydrogen phosphate
SYSTEMATIC NAME: potassium [(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] hydrogen phosphate
MOLECULAR FORMULA: C35H57KO10P+
MOLECULAR WEIGHT: 707.893141
SMILES: CC1=C2C(=C(C(=C1C)OP(=O)(O)OC3=C(O[C@@H](C3=O)[C@H](CO)O)O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[K+]
Structure:
CAS RN: 132367-97-6
CAS Name: tetradecanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester
OPENEYE Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl tetradecanoate
IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl tetradecanoate
SYSTEMATIC NAME: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl tetradecanoate
MOLECULAR FORMULA: C20H35N3O4
MOLECULAR WEIGHT: 381.5096
SMILES: CCCCCCCCCCCCCC(=O)OCCN1C(=NC=C1[N+](=O)[O-])C
Structure:
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