CAS RN: 86449-40-3
CAS Name: (1S,2R,8R,8aR)-4-oxido-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1,2,8-triol
OPENEYE Name: (1S,2R,8R,8aR)-4-oxido-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1,2,8-triol
IUPAC Name: (1S,2R,8R,8aR)-4-oxido-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1,2,8-triol
SYSTEMATIC NAME: (1S,2R,8R,8aR)-4-oxidanidyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1,2,8-triol
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N+]2(C1)[O-])O)O)O
Structure:
CAS RN: 86329-06-8
CAS Name: 3-[[[2-[2-(2-acetamidoethyl)-4-thiazolyl]-4-thiazolyl]-oxomethyl]amino]propyl-dimethylsulfonium
OPENEYE Name: 3-[[2-[2-(2-acetamidoethyl)thiazol-4-yl]thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium
IUPAC Name: 3-[[2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
SYSTEMATIC NAME: 3-[[2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]carbonylamino]propyl-dimethyl-sulfanium
MOLECULAR FORMULA: C16H23N4O2S3+
MOLECULAR WEIGHT: 399.57442
SMILES: CC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCC[S+](C)C
Structure:
CAS RN: 81620-91-9
CAS Name: 4-[(3,4-dimethyl-5-isoxazolyl)amino]naphthalene-1,2-dione
OPENEYE Name: 4-[(3,4-dimethylisoxazol-5-yl)amino]naphthalene-1,2-dione
IUPAC Name: 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]naphthalene-1,2-dione
SYSTEMATIC NAME: 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]naphthalene-1,2-dione
MOLECULAR FORMULA: C15H12N2O3
MOLECULAR WEIGHT: 268.26738
SMILES: CC1=C(ON=C1C)NC2=CC(=O)C(=O)C3=CC=CC=C32
Structure:
CAS RN: 81608-60-8
CAS Name: (13S,14S)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
OPENEYE Name: (13S,14S)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
IUPAC Name: (13S,14S)-3,4-dihydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (13S,14S)-13-methyl-3,4-bis(oxidanyl)-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4O)O
Structure:
CAS RN: 86260-04-0
CAS Name: (1S,2R,3S,5S)-3-(4-amino-1-imidazo[4,5-c]pyridinyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
OPENEYE Name: (1S,2R,3S,5S)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
IUPAC Name: (1S,2R,3S,5S)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
SYSTEMATIC NAME: (1S,2R,3S,5S)-3-(4-azanylimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
MOLECULAR FORMULA: C12H16N4O3
MOLECULAR WEIGHT: 264.28044
SMILES: C1[C@H]([C@@H]([C@@H]([C@H]1N2C=NC3=C2C=CN=C3N)O)O)CO
Structure:
CAS RN: 81568-83-4
CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[(2-bromobenzoyl)amino]acetic acid
IUPAC Name: 2-[(2-bromobenzoyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(2-bromophenyl)carbonylamino]ethanoic acid
MOLECULAR FORMULA: C9H8BrNO3
MOLECULAR WEIGHT: 258.06872
SMILES: C1=CC=C(C(=C1)C(=O)NCC(=O)O)Br
Structure:
CAS RN: 86234-68-6
CAS Name: 2-methoxyacetic acid [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl ester
OPENEYE Name: [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxy-cyclopentyl]methyl 2-methoxyacetate
IUPAC Name: [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl 2-methoxyacetate
SYSTEMATIC NAME: [(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(oxidanyl)cyclopentyl]methyl 2-methoxyethanoate
MOLECULAR FORMULA: C14H19N5O5
MOLECULAR WEIGHT: 337.33116
SMILES: COCC(=O)OC[C@H]1C[C@H]([C@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3N
Structure:
CAS RN: 86218-60-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: C[C@]12[C@@H]3[C@@H](O3)[C@@H](C1(C)C)CC2=O
Structure:
CAS RN: 81541-32-4
CAS Name: 3,6-bis[2-(1-piperidinyl)ethoxy]acridine
OPENEYE Name: 3,6-bis[2-(1-piperidyl)ethoxy]acridine
IUPAC Name: 3,6-bis(2-piperidin-1-ylethoxy)acridine
SYSTEMATIC NAME: 3,6-bis(2-piperidin-1-ylethoxy)acridine
MOLECULAR FORMULA: C27H35N3O2
MOLECULAR WEIGHT: 433.5857
SMILES: C1CCN(CC1)CCOC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)OCCN5CCCCC5
Structure:
CAS RN: 86147-25-3
CAS Name: acetic acid [(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] ester
OPENEYE Name: [(1R)-1-(octadecoxymethyl)-2-phosphonooxy-ethyl] acetate
IUPAC Name: [(2R)-1-octadecoxy-3-phosphonooxypropan-2-yl] acetate
SYSTEMATIC NAME: [(2R)-1-octadecoxy-3-phosphonooxy-propan-2-yl] ethanoate
MOLECULAR FORMULA: C23H47O7P
MOLECULAR WEIGHT: 466.588841
SMILES: CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)C
Structure:
CAS RN: 86111-11-7
CAS Name: 2,2-dimethylpropanoic acid [4-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-2-(2,2-dimethyl-1-oxopropoxy)phenyl] ester
OPENEYE Name: [4-[(1R)-2-(dimethylamino)-1-hydroxy-ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
IUPAC Name: [4-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [4-[(1R)-2-(dimethylamino)-1-oxidanyl-ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C20H31NO5
MOLECULAR WEIGHT: 365.46384
SMILES: CC(C)(C)C(=O)OC1=C(C=C(C=C1)[C@H](CN(C)C)O)OC(=O)C(C)(C)C
Structure:
CAS RN: 86060-81-3
CAS Name: (9S)-4,9-diamino-N-[(2S)-2-amino-1-oxopropyl]-6,10-dimethyl-N-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-3,8-dioxoundecanamide
OPENEYE Name: (9S)-4,9-diamino-N-[(2S)-2-aminopropanoyl]-N-isopentyl-6,10-dimethyl-2-(3-methylbutanoyl)-3,8-dioxo-undecanamide
IUPAC Name: (9S)-4,9-diamino-N-[(2S)-2-aminopropanoyl]-6,10-dimethyl-2-(3-methylbutanoyl)-N-(3-methylbutyl)-3,8-dioxoundecanamide
SYSTEMATIC NAME: (9S)-4,9-bis(azanyl)-N-[(2S)-2-azanylpropanoyl]-6,10-dimethyl-2-(3-methylbutanoyl)-N-(3-methylbutyl)-3,8-bis(oxidanylidene)undecanamide
MOLECULAR FORMULA: C26H48N4O5
MOLECULAR WEIGHT: 496.68312
SMILES: C[C@@H](C(=O)N(CCC(C)C)C(=O)C(C(=O)CC(C)C)C(=O)C(CC(C)CC(=O)[C@H](C(C)C)N)N)N
Structure:
CAS RN: 860-44-6
CAS Name: (2S,5R,6R)-6-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H23N5O7S
MOLECULAR WEIGHT: 489.50162
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](CS4)C(=O)O
Structure:
CAS RN: 86016-61-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H29NO10
MOLECULAR WEIGHT: 527.51986
SMILES: C[C@]1(C[C@H](C2=C(C1)C=C3C(=C2O)C(=O)C4=C(C=C5C(=C4C3=O)O[C@H]6[C@H]([C@H]([C@H]([C@]5(O6)C)O)NC)O)O)OC)O
Structure:
CAS RN: 81440-45-1
CAS Name: (2R)-2-amino-3-(1H-benzimidazol-2-yl)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(1H-benzimidazol-2-yl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(1H-benzimidazol-2-yl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(1H-benzimidazol-2-yl)propanoic acid
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: C1=CC=C2C(=C1)NC(=N2)C[C@H](C(=O)O)N
Structure:
CAS RN: 85949-60-6
CAS Name: 3,6,7,8-tetramethyl-4-(2-methylpropyl)-6H-pyrrolo[3,2-f]indolizine-2-carboxylic acid
OPENEYE Name: 4-isobutyl-3,6,7,8-tetramethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylic acid
IUPAC Name: 3,6,7,8-tetramethyl-4-(2-methylpropyl)-6H-pyrrolo[3,2-f]indolizine-2-carboxylic acid
SYSTEMATIC NAME: 3,6,7,8-tetramethyl-4-(2-methylpropyl)-6H-pyrrolo[3,2-f]indolizine-2-carboxylic acid
MOLECULAR FORMULA: C19H24N2O2
MOLECULAR WEIGHT: 312.40606
SMILES: CC1C(=C(C2=CC3=NC(=C(C3=C(N12)CC(C)C)C)C(=O)O)C)C
Structure:
CAS RN: 81377-14-2
CAS Name: ammonium 4-chloro-2,1,3-benzoxadiazole-7-sulfonate
OPENEYE Name: ammonium 4-chloro-2,1,3-benzoxadiazole-7-sulfonate
IUPAC Name: azanium 4-chloro-2,1,3-benzoxadiazole-7-sulfonate
SYSTEMATIC NAME: azanium 4-chloranyl-2,1,3-benzoxadiazole-7-sulfonate
MOLECULAR FORMULA: C6H6ClN3O4S
MOLECULAR WEIGHT: 251.64754
SMILES: C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 85923-80-4
CAS Name: 3-cyclopentylpropanoic acid [(3S,8R,9S,10R,13S,14S,17S)-17-(3-cyclopentyl-1-oxopropoxy)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S,17S)-17-(3-cyclopentylpropanoyloxy)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
IUPAC Name: [(3S,8R,9S,10R,13S,14S,17S)-17-(3-cyclopentylpropanoyloxy)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S,17S)-17-(3-cyclopentylpropanoyloxy)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-cyclopentylpropanoate
MOLECULAR FORMULA: C35H54O4
MOLECULAR WEIGHT: 538.80086
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C[C@H](CC[C@]35C)OC(=O)CCC6CCCC6
Structure:
CAS RN: 81358-96-5
CAS Name: N4-(5-hexoxy-6-methoxy-4-methyl-8-quinolinyl)pentane-1,4-diamine
OPENEYE Name: N4-(5-hexoxy-6-methoxy-4-methyl-8-quinolyl)pentane-1,4-diamine
IUPAC Name: 4-N-(5-hexoxy-6-methoxy-4-methylquinolin-8-yl)pentane-1,4-diamine
SYSTEMATIC NAME: N4-(5-hexoxy-6-methoxy-4-methyl-quinolin-8-yl)pentane-1,4-diamine
MOLECULAR FORMULA: C22H35N3O2
MOLECULAR WEIGHT: 373.5322
SMILES: CCCCCCOC1=C(C=C(C2=NC=CC(=C12)C)NC(C)CCCN)OC
Structure:
CAS RN: 85826-34-2
CAS Name: (2S,3R,4R,5R,6R)-6-(hydroxymethyl)-2-propoxy-3,4-di(tetradecoxy)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4R,5R,6R)-6-(hydroxymethyl)-2-propoxy-3,4-di(tetradecoxy)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4R,5R,6R)-6-(hydroxymethyl)-2-propoxy-3,4-di(tetradecoxy)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4R,5R,6R)-6-(hydroxymethyl)-2-propoxy-3,4-di(tetradecoxy)oxane-3,4,5-triol
MOLECULAR FORMULA: C37H74O8
MOLECULAR WEIGHT: 646.97866
SMILES: CCCCCCCCCCCCCCO[C@@]1([C@@H]([C@H](O[C@@H]([C@@]1(O)OCCCCCCCCCCCCCC)OCCC)CO)O)O
Structure:
CAS RN: 85814-78-4
CAS Name: (2S)-1-[(2S)-2-methyl-1-oxo-3-(phenylmethylthio)propyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-3-benzylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-3-benzylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-methyl-3-(phenylmethylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C16H21NO3S
MOLECULAR WEIGHT: 307.40784
SMILES: C[C@H](CSCC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O
Structure:
No comments:
Post a Comment