CAS RN: 123658-22-0
CAS Name: 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate
MOLECULAR FORMULA: C29H29NO7
MOLECULAR WEIGHT: 503.54306
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCC(=O)ON4C(=O)CCC4=O
Structure:
CAS RN: 107967-38-4
CAS Name: acetic acid [(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester hydrochloride
OPENEYE Name: [(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate hydrochloride
IUPAC Name: [(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxidanylidene-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C24H28ClF3N2O4
MOLECULAR WEIGHT: 500.93833
SMILES: CC(=O)O[C@@H]1[C@@H](CC2=C(C=CC(=C2)C(F)(F)F)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
Structure:
CAS RN: 123658-23-1
CAS Name: 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoic acid (2,4-dinitrophenyl) ester
OPENEYE Name: (2,4-dinitrophenyl) 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate
IUPAC Name: (2,4-dinitrophenyl) 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanoate
SYSTEMATIC NAME: (2,4-dinitrophenyl) 4-[bis(4-methoxyphenyl)-phenyl-methoxy]butanoate
MOLECULAR FORMULA: C31H28N2O9
MOLECULAR WEIGHT: 572.56202
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCC(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 123652-87-9
CAS Name: (2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C26H38N4O6
MOLECULAR WEIGHT: 502.60312
SMILES: CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H]([C@@H](CC3=CC=CC=C3)N)O
Structure:
CAS RN: 123632-48-4
CAS Name: 1-[2-(2-azido-3-iodophenyl)ethyl]-4-[2-(diphenylmethyl)oxyethyl]piperazine
OPENEYE Name: 1-[2-(2-azido-3-iodo-phenyl)ethyl]-4-(2-benzhydryloxyethyl)piperazine
IUPAC Name: 1-[2-(2-azido-3-iodophenyl)ethyl]-4-(2-benzhydryloxyethyl)piperazine
SYSTEMATIC NAME: 1-[2-(2-azido-3-iodanyl-phenyl)ethyl]-4-[2-(diphenylmethyl)oxyethyl]piperazine
MOLECULAR FORMULA: C27H30IN5O
MOLECULAR WEIGHT: 567.46447
SMILES: C1CN(CCN1CCC2=C(C(=CC=C2)I)N=[N+]=[N-])CCOC(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 107930-05-2
CAS Name: 2-(4,6-diamino-5-pyrimidinyl)guanidine
OPENEYE Name: 2-(4,6-diaminopyrimidin-5-yl)guanidine
IUPAC Name: 2-(4,6-diaminopyrimidin-5-yl)guanidine
SYSTEMATIC NAME: 2-[4,6-bis(azanyl)pyrimidin-5-yl]guanidine
MOLECULAR FORMULA: C5H9N7
MOLECULAR WEIGHT: 167.17186
SMILES: C1=NC(=C(C(=N1)N)N=C(N)N)N
Structure:
CAS RN: 107914-05-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: COC1=C2C3CC(C(C2=C(C=C1)OC)O3)N
Structure:
CAS RN: 123617-34-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H68O13
MOLECULAR WEIGHT: 768.97082
SMILES: CC(=C[C@H]1C[C@]([C@H]2CC[C@]3(C2[C@H](O1)C[C@H]4[C@H]3CCC5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C
Structure:
CAS RN: 107911-44-4
CAS Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxy-2-oxanyl]methoxy]oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C13H24O11
MOLECULAR WEIGHT: 356.32306
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O
Structure:
CAS RN: 123606-23-5
CAS Name: 1-[1-(3-furanyl)ethyl]-1-hydroxyurea
OPENEYE Name: 1-[1-(3-furyl)ethyl]-1-hydroxy-urea
IUPAC Name: 1-[1-(furan-3-yl)ethyl]-1-hydroxyurea
SYSTEMATIC NAME: 1-[1-(furan-3-yl)ethyl]-1-oxidanyl-urea
MOLECULAR FORMULA: C7H10N2O3
MOLECULAR WEIGHT: 170.1659
SMILES: CC(C1=COC=C1)N(C(=O)N)O
Structure:
CAS RN: 123595-75-5
CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
OPENEYE Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridyl)chromane-6-carbonitrile
IUPAC Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile
SYSTEMATIC NAME: (3R,4S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N3C=CC=CC3=O)O)C
Structure:
CAS RN: 123577-73-1
CAS Name: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-
OPENEYE Name: dimethylphosphoryl (3S)-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-ox
IUPAC Name: dimethylphosphoryl (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]he
SYSTEMATIC NAME: dimethylphosphoryl (3S)-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propan
MOLECULAR FORMULA: C54H74N9O13P
MOLECULAR WEIGHT: 1088.191621
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)OP(=O)(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 123577-48-0
CAS Name: 4-(hydroxymethyl)-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-2-one
OPENEYE Name: 4-(hydroxymethyl)-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-2-one
IUPAC Name: 4-(hydroxymethyl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one
SYSTEMATIC NAME: 4-(hydroxymethyl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: C1CCC2=C(C1)C3=CC4=C(C=C3O2)OC(=O)C=C4CO
Structure:
CAS RN: 123567-34-0
CAS Name: N-(3-chlorophenyl)carbamic acid 4-[2-bromoethyl(methyl)amino]but-2-ynyl ester
OPENEYE Name: 4-[2-bromoethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate
IUPAC Name: 4-[2-bromoethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: 4-[2-bromoethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C14H16BrClN2O2
MOLECULAR WEIGHT: 359.64604
SMILES: CN(CCBr)CC#CCOC(=O)NC1=CC(=CC=C1)Cl
Structure:
CAS RN: 123567-32-8
CAS Name: N-(3-chlorophenyl)carbamic acid 4-[2-chloroethyl(methyl)amino]but-2-ynyl ester
OPENEYE Name: 4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate
IUPAC Name: 4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: 4-[2-chloroethyl(methyl)amino]but-2-ynyl N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C14H16Cl2N2O2
MOLECULAR WEIGHT: 315.19504
SMILES: CN(CCCl)CC#CCOC(=O)NC1=CC(=CC=C1)Cl
Structure:
CAS RN: 123567-24-8
CAS Name: acetic acid [6-(1-aziridinyl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] ester
OPENEYE Name: [6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] acetate
IUPAC Name: [6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] acetate
SYSTEMATIC NAME: [6-(aziridin-1-yl)-7-methyl-5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] ethanoate
MOLECULAR FORMULA: C15H15N3O4
MOLECULAR WEIGHT: 301.2973
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C)N4CC4
Structure:
CAS RN: 123564-58-9
CAS Name: octadecanoic acid [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl octadecanoate
IUPAC Name: [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadecanoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methyl-hept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl octadecanoate
MOLECULAR FORMULA: C53H92O7
MOLECULAR WEIGHT: 841.29338
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CC[C@H](CC)C(=C)C)C)C)O)O)O
Structure:
CAS RN: 123564-57-8
CAS Name: hexadecanoic acid [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl hexadecanoate
IUPAC Name: [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methyl-hept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl hexadecanoate
MOLECULAR FORMULA: C51H88O7
MOLECULAR WEIGHT: 813.24022
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CC[C@H](CC)C(=C)C)C)C)O)O)O
Structure:
CAS RN: 107869-78-3
CAS Name: (2R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.2]octane]
OPENEYE Name: (2R)-2-methylspiro[1,3-dioxolane-4,3'-quinuclidine]
IUPAC Name: (2R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.2]octane]
SYSTEMATIC NAME: (2R)-2-methylspiro[1,3-dioxolane-4,3'-1-azabicyclo[2.2.2]octane]
MOLECULAR FORMULA: C10H17NO2
MOLECULAR WEIGHT: 183.24748
SMILES: C[C@@H]1OCC2(O1)CN3CCC2CC3
Structure:
CAS RN: 123553-00-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H32Cl2N2O3
MOLECULAR WEIGHT: 491.44988
SMILES: COC12C=CC3(C[C@H]1N(CCCl)CCCl)[C@@H]4CC5=C6[C@]3([C@@H]2OC6=C(C=C5)O)CCN4CC=C
Structure:
CAS RN: 123548-56-1
CAS Name: acetic acid [2-[3-[(2-acetyloxy-1-oxoethyl)amino]-2-chloro-5-cyanoanilino]-2-oxoethyl] ester
OPENEYE Name: [2-[3-[(2-acetoxyacetyl)amino]-2-chloro-5-cyano-anilino]-2-oxo-ethyl] acetate
IUPAC Name: [2-[3-[(2-acetyloxyacetyl)amino]-2-chloro-5-cyanoanilino]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[[3-(2-acetyloxyethanoylamino)-2-chloranyl-5-cyano-phenyl]amino]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C15H14ClN3O6
MOLECULAR WEIGHT: 367.74116
SMILES: CC(=O)OCC(=O)NC1=CC(=CC(=C1Cl)NC(=O)COC(=O)C)C#N
Structure:
CAS RN: 123548-16-3
CAS Name: 11-[2-[4-[4-(diethylamino)butyl]-1-piperidinyl]-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
OPENEYE Name: 11-[2-[4-[4-(diethylamino)butyl]-1-piperidyl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
IUPAC Name: 11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 11-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C27H37N5O2
MOLECULAR WEIGHT: 463.61498
SMILES: CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
Structure:
CAS RN: 123533-63-1
CAS Name: 2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid
OPENEYE Name: 2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]amino]-2,4,6-trioxo-hexahydropyrimidin-1-yl]acetic acid
IUPAC Name: 2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid
SYSTEMATIC NAME: 2-[5-[[1-(2-hydroxy-2-oxoethyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]amino]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]ethanoic acid
MOLECULAR FORMULA: C12H9N5O10
MOLECULAR WEIGHT: 383.22736
SMILES: C(C(=O)O)N1C(=O)C(C(=O)NC1=O)N=C2C(=O)NC(=O)N(C2=O)CC(=O)O
Structure:
CAS RN: 107838-98-2
CAS Name: 9-[(2S,6S)-2-(6-hydroxyhexoxymethyl)-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 9-[(2S,6S)-2-(6-hydroxyhexoxymethyl)-5-oxo-2H-pyran-6-yl]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 9-[(2S,6S)-2-(6-hydroxyhexoxymethyl)-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-9-[(2S,6S)-2-(6-oxidanylhexoxymethyl)-5-oxidanylidene-2H-pyran-6-yl]purine-2,6-dione
MOLECULAR FORMULA: C19H26N4O6
MOLECULAR WEIGHT: 406.43294
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=CN2[C@@H]3C(=O)C=C[C@H](O3)COCCCCCCO
Structure:
CAS RN: 123496-58-2
CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]butanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]butanedioic acid
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C34H49N9O9
MOLECULAR WEIGHT: 727.80776
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 107838-94-8
CAS Name: 6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxo-9-purinyl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid
OPENEYE Name: 6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxo-purin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid
IUPAC Name: 6-[[(2S,6S)-6-(1,3-dimethyl-2,6-dioxopurin-9-yl)-5-oxo-2H-pyran-2-yl]methoxy]hexanoic acid
SYSTEMATIC NAME: 6-[[(2S,6S)-6-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-5-oxidanylidene-2H-pyran-2-yl]methoxy]hexanoic acid
MOLECULAR FORMULA: C19H24N4O7
MOLECULAR WEIGHT: 420.41646
SMILES: CN1C2=C(C(=O)N(C1=O)C)N=CN2[C@@H]3C(=O)C=C[C@H](O3)COCCCCCC(=O)O
Structure:
CAS RN: 123495-11-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H6N2O2S
MOLECULAR WEIGHT: 194.21044
SMILES: C1COC2=NC3=C(C(=O)N21)SC=C3
Structure:
CAS RN: 107831-14-1
CAS Name: 6-[4-[5-(1-imidazolyl)pentoxy]phenoxy]-2,2-dimethylhexanoic acid
OPENEYE Name: 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoic acid
IUPAC Name: 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoic acid
SYSTEMATIC NAME: 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethyl-hexanoic acid
MOLECULAR FORMULA: C22H32N2O4
MOLECULAR WEIGHT: 388.50048
SMILES: CC(C)(CCCCOC1=CC=C(C=C1)OCCCCCN2C=CN=C2)C(=O)O
Structure:
CAS RN: 123491-58-7
CAS Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S)-2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C22H34N8O7
MOLECULAR WEIGHT: 522.55476
SMILES: COC1=CC=C(C=C1)C[C@@H](C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N)N
Structure:
CAS RN: 123494-73-5
CAS Name: 3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoic acid
OPENEYE Name: 3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoic acid
IUPAC Name: 3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoic acid
SYSTEMATIC NAME: 3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoic acid
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: C1=CC2=C(N=C1)N=C(N2)CCC(=O)O
Structure:
CAS RN: 123483-20-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H28O10
MOLECULAR WEIGHT: 476.47312
SMILES: CC1=C2[C@@H](C(C[C@@H](C34[C@H](O3)[C@@H](C[C@]5([C@@H](O5)C(=C1)O2)C)OC4=O)OC(=O)C)C6(CO6)C)OC(=O)C
Structure:
CAS RN: 123472-61-7
CAS Name: N-[2-[[2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxoethyl]carbamic acid butyl ester
OPENEYE Name: butyl N-[2-[[2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]acetyl]amino]acetyl]carbamate
IUPAC Name: butyl N-[2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]acetyl]carbamate
SYSTEMATIC NAME: butyl N-[2-[2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]ethanoyl]carbamate
MOLECULAR FORMULA: C13H23N5O6
MOLECULAR WEIGHT: 345.35162
SMILES: CCCCOC(=O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)N)N
Structure:
CAS RN: 123457-83-0
CAS Name: 1-(4-isocyanatophenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(4-isocyanatophenyl)pyrrole-2,5-dione
IUPAC Name: 1-(4-isocyanatophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(4-isocyanatophenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C11H6N2O3
MOLECULAR WEIGHT: 214.17694
SMILES: C1=CC(=CC=C1N=C=O)N2C(=O)C=CC2=O
Structure:
CAS RN: 107817-60-7
CAS Name: 4,9-dihydroxy-6,7-dimethoxybenzo[f][1,3]benzodioxole-5,8-dione
OPENEYE Name: 4,9-dihydroxy-6,7-dimethoxy-benzo[f][1,3]benzodioxole-5,8-dione
IUPAC Name: 4,9-dihydroxy-6,7-dimethoxybenzo[f][1,3]benzodioxole-5,8-dione
SYSTEMATIC NAME: 6,7-dimethoxy-4,9-bis(oxidanyl)benzo[f][1,3]benzodioxole-5,8-dione
MOLECULAR FORMULA: C13H10O8
MOLECULAR WEIGHT: 294.2137
SMILES: COC1=C(C(=O)C2=C(C1=O)C(=C3C(=C2O)OCO3)O)OC
Structure:
CAS RN: 123442-39-7
CAS Name: 3-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 3-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one
IUPAC Name: 3-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-6,7-dimethoxy-3-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)OC
Structure:
CAS RN: 107814-36-8
CAS Name: 2-[6-chloro-2-(4-chlorophenyl)-3-imidazo[1,2-a]pyridinyl]-N-(2-hydroxypropyl)acetamide
OPENEYE Name: 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxypropyl)acetamide
IUPAC Name: 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxypropyl)acetamide
SYSTEMATIC NAME: 2-[6-chloranyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-oxidanylpropyl)ethanamide
MOLECULAR FORMULA: C18H17Cl2N3O2
MOLECULAR WEIGHT: 378.25248
SMILES: CC(CNC(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl)O
Structure:
CAS RN: 107814-35-7
CAS Name: 2-[6-chloro-2-(4-chlorophenyl)-3-imidazo[1,2-a]pyridinyl]-N-(2-hydroxypropyl)-N-propylacetamide
OPENEYE Name: 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxypropyl)-N-propyl-acetamide
IUPAC Name: 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-hydroxypropyl)-N-propylacetamide
SYSTEMATIC NAME: 2-[6-chloranyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-oxidanylpropyl)-N-propyl-ethanamide
MOLECULAR FORMULA: C21H23Cl2N3O2
MOLECULAR WEIGHT: 420.33222
SMILES: CCCN(CC(C)O)C(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 107813-63-8
CAS Name: 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
OPENEYE Name: 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
IUPAC Name: 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
SYSTEMATIC NAME: 2-[[3-[3-(2H-1,2,3,4-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
MOLECULAR FORMULA: C20H19N5O2
MOLECULAR WEIGHT: 361.39716
SMILES: C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=CC=C3)OCCCC4=NNN=N4
Structure:
CAS RN: 123424-57-7
CAS Name: 8-chloro-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
OPENEYE Name: 8-chloro-5-(2,3-dihydrobenzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
IUPAC Name: 8-chloro-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
SYSTEMATIC NAME: 8-chloranyl-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
MOLECULAR FORMULA: C19H20ClNO
MOLECULAR WEIGHT: 313.8212
SMILES: CN1CCC2=C(C=CC(=C2)Cl)C(C1)C3=CC=CC4=C3OCC4
Structure:
CAS RN: 123417-18-5
CAS Name: (2S)-5-(9H-fluoren-9-ylmethoxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-(tert-butoxycarbonylamino)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C24H27NO6
MOLECULAR WEIGHT: 425.47428
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
Structure:
CAS RN: 123400-68-0
CAS Name: 3-(acetyloxymethyl)-2,5-bis(1,3-benzodioxol-5-yl)-2,3-dihydrofuran-4-carboxylic acid methyl ester
OPENEYE Name: methyl 3-(acetoxymethyl)-2,5-bis(1,3-benzodioxol-5-yl)-2,3-dihydrofuran-4-carboxylate
IUPAC Name: methyl 3-(acetyloxymethyl)-2,5-bis(1,3-benzodioxol-5-yl)-2,3-dihydrofuran-4-carboxylate
SYSTEMATIC NAME: methyl 3-(acetyloxymethyl)-2,5-bis(1,3-benzodioxol-5-yl)-2,3-dihydrofuran-4-carboxylate
MOLECULAR FORMULA: C23H20O9
MOLECULAR WEIGHT: 440.3995
SMILES: CC(=O)OCC1C(OC(=C1C(=O)OC)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5
Structure:
No comments:
Post a Comment