CAS RN: 4472-12-2
CAS Name: 2-iminoacetic acid
OPENEYE Name: 2-iminoacetic acid
IUPAC Name: 2-iminoacetic acid
SYSTEMATIC NAME: 2-azanylideneethanoic acid
MOLECULAR FORMULA: C2H3NO2
MOLECULAR WEIGHT: 73.05072
SMILES: C(=N)C(=O)O
Structure:
CAS RN: 4302-99-2
CAS Name: (2R,3S)-5-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: (2R,3S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: (2R,3S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: (2R,3S)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H13N5O3
MOLECULAR WEIGHT: 251.24192
SMILES: C1[C@@H]([C@H](OC1N2C3=C(C=N2)C(=NC=N3)N)CO)O
Structure:
CAS RN: 4261-17-0
CAS Name: 2,4-diamino-6-pteridinecarboxaldehyde
OPENEYE Name: 2,4-diaminopteridine-6-carbaldehyde
IUPAC Name: 2,4-diaminopteridine-6-carbaldehyde
SYSTEMATIC NAME: 2,4-bis(azanyl)pteridine-6-carbaldehyde
MOLECULAR FORMULA: C7H6N6O
MOLECULAR WEIGHT: 190.16214
SMILES: C1=C(N=C2C(=NC(=NC2=N1)N)N)C=O
Structure:
CAS RN: 4251-20-1
CAS Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl [(2R,3R,5R)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl] hydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,5R)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl] hydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl [(2R,3R,5R)-3-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C20H26N7O11P
MOLECULAR WEIGHT: 571.434501
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C4NC(=NC5=O)N)O)CO
Structure:
CAS RN: 4224-37-7
CAS Name: (8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,11S,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-11-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O3
MOLECULAR WEIGHT: 328.44522
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C
Structure:
CAS RN: 4105-39-9
CAS Name: (2R,3R,4S,5R)-2-[6-amino-2-(methylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(6-azanyl-2-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H15N5O4S
MOLECULAR WEIGHT: 313.3329
SMILES: CSC1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 3862-26-8
CAS Name: (3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
OPENEYE Name: (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
IUPAC Name: (3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
SYSTEMATIC NAME: (3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
MOLECULAR FORMULA: C27H48O2
MOLECULAR WEIGHT: 404.66882
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
Structure:
CAS RN: 3818-40-4
CAS Name: [3-[(4-butoxyphenyl)-oxomethoxy]-2-methylbutyl]-triethylammonium iodide
OPENEYE Name: [3-(4-butoxybenzoyl)oxy-2-methyl-butyl]-triethyl-ammonium iodide
IUPAC Name: [3-(4-butoxybenzoyl)oxy-2-methylbutyl]-triethylazanium iodide
SYSTEMATIC NAME: [3-(4-butoxyphenyl)carbonyloxy-2-methyl-butyl]-triethyl-azanium iodide
MOLECULAR FORMULA: C22H38INO3
MOLECULAR WEIGHT: 491.44649
SMILES: CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(C)C[N+](CC)(CC)CC.[I-]
Structure:
CAS RN: 3737-08-4
CAS Name: 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetic acid; morpholine
OPENEYE Name: 2-(3,5-diiodo-4-oxo-1-pyridyl)acetic acid; morpholine
IUPAC Name: 2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acid; morpholine
SYSTEMATIC NAME: 2-[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]ethanoic acid; morpholine
MOLECULAR FORMULA: C11H14I2N2O4
MOLECULAR WEIGHT: 492.0488
SMILES: C1COCCN1.C1=C(C(=O)C(=CN1CC(=O)O)I)I
Structure:
CAS RN: 3734-24-5
CAS Name: 3-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
OPENEYE Name: 3-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid
IUPAC Name: 3-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
SYSTEMATIC NAME: 3-azanyl-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoic acid
MOLECULAR FORMULA: C9H9I2NO3
MOLECULAR WEIGHT: 432.9816
SMILES: C1=C(C=C(C(=C1I)O)I)C(CC(=O)O)N
Structure:
CAS RN: 3700-69-4
CAS Name: chromium(3+); hexadecanoate
OPENEYE Name: chromic hexadecanoate
IUPAC Name: chromium(3+); hexadecanoate
SYSTEMATIC NAME: chromium(3+); hexadecanoate
MOLECULAR FORMULA: C48H93CrO6
MOLECULAR WEIGHT: 818.24452
SMILES: CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Cr+3]
Structure:
CAS RN: 3668-14-2
CAS Name: acetic acid [(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ester
OPENEYE Name: [(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
IUPAC Name: [(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
SYSTEMATIC NAME: [(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-bis(oxidanylidene)-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] ethanoate
MOLECULAR FORMULA: C17H20O5
MOLECULAR WEIGHT: 304.3377
SMILES: C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2
Structure:
CAS RN: 3571-49-1
CAS Name: 4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2,6-diiodophenol
OPENEYE Name: 4-[4-(2-aminoethyl)-2,6-diiodo-phenoxy]-2,6-diiodo-phenol
IUPAC Name: 4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2,6-diiodophenol
SYSTEMATIC NAME: 4-[4-(2-azanylethyl)-2,6-bis(iodanyl)phenoxy]-2,6-bis(iodanyl)phenol
MOLECULAR FORMULA: C14H11I4NO2
MOLECULAR WEIGHT: 732.86052
SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CCN
Structure:
CAS RN: 3567-35-9
CAS Name: carbamic acid (7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl ester
OPENEYE Name: (7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate
IUPAC Name: (7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate
SYSTEMATIC NAME: [7-methyl-5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
MOLECULAR FORMULA: C14H14N2O4
MOLECULAR WEIGHT: 274.27196
SMILES: CC1=CC(=O)C2=C(C1=O)N3CCCC3=C2COC(=O)N
Structure:
CAS RN: 3251-55-6
CAS Name: N-(4-hydroxy-3-methoxyphenyl)acetamide
OPENEYE Name: N-(4-hydroxy-3-methoxy-phenyl)acetamide
IUPAC Name: N-(4-hydroxy-3-methoxyphenyl)acetamide
SYSTEMATIC NAME: N-(3-methoxy-4-oxidanyl-phenyl)ethanamide
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: CC(=O)NC1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 3141-58-0
CAS Name: 2-$l^{1}-oxidanyl-2-methylpropane
OPENEYE Name: 2-$l^{1}-oxidanyl-2-methyl-propane
IUPAC Name: 2-$l^{1}-oxidanyl-2-methylpropane
SYSTEMATIC NAME: 2-$l^{1}-oxidanyl-2-methyl-propane
MOLECULAR FORMULA: C4H9O
MOLECULAR WEIGHT: 73.11366
SMILES: CC(C)(C)[O]
Structure:
CAS RN: 3114-44-1
CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S,17R)-6-chloranyl-17-ethanoyl-10,13-dimethyl-3-oxidanyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H31ClO4
MOLECULAR WEIGHT: 406.94284
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)O)Cl)C)OC(=O)C
Structure:
CAS RN: 3022-61-5
CAS Name: 10-acetyl-1,8-dihydroxy-10H-anthracen-9-one
OPENEYE Name: 10-acetyl-1,8-dihydroxy-10H-anthracen-9-one
IUPAC Name: 10-acetyl-1,8-dihydroxy-10H-anthracen-9-one
SYSTEMATIC NAME: 10-ethanoyl-1,8-bis(oxidanyl)-10H-anthracen-9-one
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: CC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
Structure:
CAS RN: 2804-05-9
CAS Name: 1-(4-fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanol
OPENEYE Name: 1-(4-fluorophenyl)-4-[4-(2-pyridyl)piperazin-1-yl]butan-1-ol
IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol
MOLECULAR FORMULA: C19H24FN3O
MOLECULAR WEIGHT: 329.411763
SMILES: C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=CC=CC=N3
Structure:
CAS RN: 2477-60-3
CAS Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-17-oxidanyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O3
MOLECULAR WEIGHT: 328.44522
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C)O
Structure:
CAS RN: 112317-61-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CN1CCC23C=C(C(=O)C=C2[C@@H]1CCC4=CC(=C(C(=C34)OC)O)OC)OC
Structure:
CAS RN: 2113-91-9
CAS Name: 4-acetyl-5-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-3-one
OPENEYE Name: 4-acetyl-5-hydroxy-2-isopropyl-1,2-dihydropyrrol-3-one
IUPAC Name: 4-acetyl-5-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-3-one
SYSTEMATIC NAME: 4-ethanoyl-5-oxidanyl-2-propan-2-yl-1,2-dihydropyrrol-3-one
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: CC(C)C1C(=O)C(=C(N1)O)C(=O)C
Structure:
CAS RN: 1333-84-2
CAS Name: dialuminum oxygen(2-) hydrate
OPENEYE Name: dialuminum oxygen(2-) hydrate
IUPAC Name: dialuminum oxygen(2-) hydrate
SYSTEMATIC NAME: dialuminum oxygen(2-) hydrate
MOLECULAR FORMULA: Al2H2O4
MOLECULAR WEIGHT: 119.976556
SMILES: O.[O-2].[O-2].[O-2].[Al+3].[Al+3]
Structure:
CAS RN: 1322-48-1
CAS Name: 3-chloro-2-(phenylmethyl)phenol
OPENEYE Name: 2-benzyl-3-chloro-phenol
IUPAC Name: 2-benzyl-3-chlorophenol
SYSTEMATIC NAME: 3-chloranyl-2-(phenylmethyl)phenol
MOLECULAR FORMULA: C13H11ClO
MOLECULAR WEIGHT: 218.67884
SMILES: C1=CC=C(C=C1)CC2=C(C=CC=C2Cl)O
Structure:
CAS RN: 1178-00-3
CAS Name: 2-[(3aR,5aR,6S,7S,9aR,9bS)-6-(2-methoxy-2-oxoethyl)-3a-methyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-7-yl]acetic acid
OPENEYE Name: 2-[(3aR,5aR,6S,7S,9aR,9bS)-3-(1,5-dimethylhexyl)-6-(2-methoxy-2-oxo-ethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-7-yl]acetic acid
IUPAC Name: 2-[(3aR,5aR,6S,7S,9aR,9bS)-6-(2-methoxy-2-oxoethyl)-3a-methyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-7-yl]acetic acid
SYSTEMATIC NAME: 2-[(3aR,5aR,6S,7S,9aR,9bS)-6-(2-methoxy-2-oxidanylidene-ethyl)-3a-methyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-7-yl]ethanoic acid
MOLECULAR FORMULA: C27H46O4
MOLECULAR WEIGHT: 434.65174
SMILES: CC(C)CCCC(C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]([C@@H]3CC(=O)OC)CC(=O)O)C
Structure:
CAS RN: 1152-14-3
CAS Name: acetic acid (7-oxo-3-phenoxazinyl) ester
OPENEYE Name: (7-oxophenoxazin-3-yl) acetate
IUPAC Name: (7-oxophenoxazin-3-yl) acetate
SYSTEMATIC NAME: (7-oxidanylidenephenoxazin-3-yl) ethanoate
MOLECULAR FORMULA: C14H9NO4
MOLECULAR WEIGHT: 255.22556
SMILES: CC(=O)OC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
Structure:
CAS RN: 1061-64-9
CAS Name: (6R)-3-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
OPENEYE Name: (6R)-3-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
IUPAC Name: (6R)-3-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
SYSTEMATIC NAME: (6R)-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-oxidanyl-heptanoic acid
MOLECULAR FORMULA: C27H46O6
MOLECULAR WEIGHT: 466.65054
SMILES: C[C@H](CCC(C(C)C(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Structure:
CAS RN: 1057-47-2
CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]-3-(4-hydroxy-3,5-diiodo-phenyl)propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoyl]amino]-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoic acid
MOLECULAR FORMULA: C18H16I4N2O5
MOLECULAR WEIGHT: 847.94792
SMILES: C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)N[C@@H](CC2=CC(=C(C(=C2)I)O)I)C(=O)O)N
Structure:
CAS RN: 997-62-6
CAS Name: (2S)-6-amino-2-[(2-amino-1-oxoethyl)amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-(2-azanylethanoylamino)hexanoic acid
MOLECULAR FORMULA: C8H17N3O3
MOLECULAR WEIGHT: 203.23888
SMILES: C(CCN)C[C@@H](C(=O)O)NC(=O)CN
Structure:
CAS RN: 997-20-6
CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C24H50N8O5
MOLECULAR WEIGHT: 530.7044
SMILES: C(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N
Structure:
CAS RN: 752-71-6
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] 1,2-bis[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]ethyl hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 1,2-bis[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 1,2-bis[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 1,2-bis[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethyl hydrogen phosphate
MOLECULAR FORMULA: C28H35N9O20P2
MOLECULAR WEIGHT: 879.573322
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CC([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CN=C7N)O)O)O)O
Structure:
CAS RN: 734-22-5
CAS Name: N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
OPENEYE Name: N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
IUPAC Name: N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
SYSTEMATIC NAME: N-[4-(4-fluorophenyl)sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C14H12FNO3S
MOLECULAR WEIGHT: 293.313383
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 659-40-5
CAS Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
OPENEYE Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzamidine; 2-hydroxyethanesulfonic acid
IUPAC Name: 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
SYSTEMATIC NAME: 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide; 2-oxidanylethanesulfonic acid
MOLECULAR FORMULA: C24H38N4O10S2
MOLECULAR WEIGHT: 606.70932
SMILES: C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
Structure:
CAS RN: 653-60-1
CAS Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H16N5O13P3
MOLECULAR WEIGHT: 507.181023
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
Structure:
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