CAS RN: 137319-23-4
CAS Name: 6-hydroxy-3-[10-(4-hydroxyphenyl)-6-methyldecyl]-3,5-dimethyl-1,2-dioxin-4-one
OPENEYE Name: 6-hydroxy-3-[10-(4-hydroxyphenyl)-6-methyl-decyl]-3,5-dimethyl-1,2-dioxin-4-one
IUPAC Name: 6-hydroxy-3-[10-(4-hydroxyphenyl)-6-methyldecyl]-3,5-dimethyl-1,2-dioxin-4-one
SYSTEMATIC NAME: 3-[10-(4-hydroxyphenyl)-6-methyl-decyl]-3,5-dimethyl-6-oxidanyl-1,2-dioxin-4-one
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: CC1=C(OOC(C1=O)(C)CCCCCC(C)CCCCC2=CC=C(C=C2)O)O
Structure:
CAS RN: 137248-58-9
CAS Name: disodium 1-[(2S,4S,5R)-4-fluoro-5-(2-phosphonatoethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: disodium 1-[(2S,4S,5R)-4-fluoro-5-(2-phosphonatoethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: disodium 1-[(2S,4S,5R)-4-fluoro-5-(2-phosphonatoethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: disodium 1-[(2S,4S,5R)-4-fluoranyl-5-(2-phosphonatoethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H14FN2Na2O6P
MOLECULAR WEIGHT: 366.190364
SMILES: CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CCP(=O)([O-])[O-])F.[Na+].[Na+]
Structure:
CAS RN: 137233-78-4
CAS Name: (2S)-6-[[3-[(2-bromo-1-oxoethyl)amino]-1-oxopropyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-[3-[(2-bromoacetyl)amino]propanoylamino]-2-(tert-butoxycarbonylamino)hexanoic acid
IUPAC Name: (2S)-6-[3-[(2-bromoacetyl)amino]propanoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-[3-(2-bromanylethanoylamino)propanoylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
MOLECULAR FORMULA: C16H28BrN3O6
MOLECULAR WEIGHT: 438.31402
SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCNC(=O)CBr)C(=O)O
Structure:
CAS RN: 137232-04-3
CAS Name: 4-(3-amino-2,4-dioxo-1-azetidinyl)-2-methylbenzoic acid
OPENEYE Name: 4-(3-amino-2,4-dioxo-azetidin-1-yl)-2-methyl-benzoic acid
IUPAC Name: 4-(3-amino-2,4-dioxoazetidin-1-yl)-2-methylbenzoic acid
SYSTEMATIC NAME: 4-[3-azanyl-2,4-bis(oxidanylidene)azetidin-1-yl]-2-methyl-benzoic acid
MOLECULAR FORMULA: C11H10N2O4
MOLECULAR WEIGHT: 234.2081
SMILES: CC1=C(C=CC(=C1)N2C(=O)C(C2=O)N)C(=O)O
Structure:
CAS RN: 137203-80-6
CAS Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-dodecylamino]acetic acid
OPENEYE Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-dodecyl-amino]acetic acid
IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-dodecylamino]acetic acid
SYSTEMATIC NAME: 2-[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethyl-dodecyl-amino]ethanoic acid
MOLECULAR FORMULA: C28H52N4O10
MOLECULAR WEIGHT: 604.73328
SMILES: CCCCCCCCCCCCN(CCN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
Structure:
CAS RN: 137182-40-2
CAS Name: 2-bromo-4,6-bis[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]benzene-1,3,5-triol
OPENEYE Name: 2-bromo-4,6-bis[(2,3-dibromo-4,5-dihydroxy-phenyl)methyl]benzene-1,3,5-triol
IUPAC Name: 2-bromo-4,6-bis[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]benzene-1,3,5-triol
SYSTEMATIC NAME: 2,4-bis[[2,3-bis(bromanyl)-4,5-bis(oxidanyl)phenyl]methyl]-6-bromanyl-benzene-1,3,5-triol
MOLECULAR FORMULA: C20H13Br5O7
MOLECULAR WEIGHT: 764.83302
SMILES: C1=C(C(=C(C(=C1O)O)Br)Br)CC2=C(C(=C(C(=C2O)Br)O)CC3=CC(=C(C(=C3Br)Br)O)O)O
Structure:
CAS RN: 137182-39-9
CAS Name: 2-bromo-4-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]benzene-1,3,5-triol
OPENEYE Name: 2-bromo-4-[(2,3-dibromo-4,5-dihydroxy-phenyl)methyl]benzene-1,3,5-triol
IUPAC Name: 2-bromo-4-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]benzene-1,3,5-triol
SYSTEMATIC NAME: 2-[[2,3-bis(bromanyl)-4,5-bis(oxidanyl)phenyl]methyl]-4-bromanyl-benzene-1,3,5-triol
MOLECULAR FORMULA: C13H9Br3O5
MOLECULAR WEIGHT: 484.91956
SMILES: C1=C(C(=C(C(=C1O)O)Br)Br)CC2=C(C(=C(C=C2O)O)Br)O
Structure:
CAS RN: 137182-25-3
CAS Name: (4S)-4-[[(2R)-4-amino-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-5-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-[[(2R)-4-amino-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-5-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-[[(2R)-4-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-[[(2R)-4-azanyl-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C32H43N7O8
MOLECULAR WEIGHT: 653.72592
SMILES: CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)N
Structure:
CAS RN: 137162-02-8
CAS Name: 1-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-6,8-dihydroxy-3-methylanthracene-9,10-dione
OPENEYE Name: 1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6,8-dihydroxy-3-methyl-anthracene-9,10-dione
IUPAC Name: 1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6,8-dihydroxy-3-methylanthracene-9,10-dione
SYSTEMATIC NAME: 1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-methyl-6,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C27H30O14
MOLECULAR WEIGHT: 578.5187
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C(=CC(=C3)C)C(=O)C5=CC(=CC(=C5C4=O)O)O)CO)O)O)O)O)O
Structure:
CAS RN: 137132-70-8
CAS Name: 8,11-dihydroxy-4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dione
OPENEYE Name: 8,11-dihydroxy-4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dione
IUPAC Name: 8,11-dihydroxy-4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dione
SYSTEMATIC NAME: 4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-8,11-bis(oxidanyl)-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dione
MOLECULAR FORMULA: C22H26N4O6
MOLECULAR WEIGHT: 442.46504
SMILES: C1CN(C2=CC(=C3C(=C2N1)C(=O)C4=C(C=CC(=C4C3=O)O)O)NCCNCCO)CCO
Structure:
CAS RN: 137130-31-5
CAS Name: 1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]phenyl]-1-dodecanone
OPENEYE Name: 1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)chroman-4-yl]phenyl]dodecan-1-one
IUPAC Name: 1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
SYSTEMATIC NAME: 1-[3-[2-(4-hydroxyphenyl)-7-oxidanyl-3,4-dihydro-2H-chromen-4-yl]-2,4,6-tris(oxidanyl)phenyl]dodecan-1-one
MOLECULAR FORMULA: C33H40O7
MOLECULAR WEIGHT: 548.6665
SMILES: CCCCCCCCCCCC(=O)C1=C(C(=C(C=C1O)O)C2CC(OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O
Structure:
CAS RN: 137109-49-0
CAS Name: (3S)-3-methyl-8-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
OPENEYE Name: (3S)-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
IUPAC Name: (3S)-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (3S)-3-methyl-8-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C25H24O8
MOLECULAR WEIGHT: 452.45326
SMILES: C[C@H]1CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O
Structure:
CAS RN: 137109-48-9
CAS Name: (3S)-6-hydroxy-3-methyl-8-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
OPENEYE Name: (3S)-6-hydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
IUPAC Name: (3S)-6-hydroxy-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
SYSTEMATIC NAME: (3S)-3-methyl-8-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
MOLECULAR FORMULA: C25H24O9
MOLECULAR WEIGHT: 468.45266
SMILES: C[C@H]1CC2=CC(=C3C(=C2C(=O)C1)C(=O)C4=C(C3=O)C(=CC=C4)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O
Structure:
CAS RN: 137109-47-8
CAS Name: 3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethylnaphtho[2,3-c][2]benzopyran-7,12-dione
OPENEYE Name: 3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-naphtho[2,3-c]isochromene-7,12-dione
IUPAC Name: 3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethylnaphtho[2,3-c]isochromene-7,12-dione
SYSTEMATIC NAME: 2-(hydroxymethyl)-5,5-dimethyl-3,8,10-tris(oxidanyl)naphtho[2,3-c]isochromene-7,12-dione
MOLECULAR FORMULA: C20H16O7
MOLECULAR WEIGHT: 368.33684
SMILES: CC1(C2=CC(=C(C=C2C3=C(O1)C(=O)C4=C(C=C(C=C4C3=O)O)O)CO)O)C
Structure:
CAS RN: 137109-45-6
CAS Name: (3S,4aS,12bR)-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c][2]benzopyran-7,12-dione
OPENEYE Name: (3S,4aS,12bR)-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
IUPAC Name: (3S,4aS,12bR)-3,8,10-trihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
SYSTEMATIC NAME: (3S,4aS,12bR)-2-(hydroxymethyl)-5,5-dimethyl-3,8,10-tris(oxidanyl)-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
MOLECULAR FORMULA: C20H20O7
MOLECULAR WEIGHT: 372.3686
SMILES: CC1([C@H]2C[C@@H](C(=C[C@H]2C3=C(O1)C(=O)C4=C(C=C(C=C4C3=O)O)O)CO)O)C
Structure:
CAS RN: 137109-44-5
CAS Name: (4aS,12bR)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c][2]benzopyran-7,12-dione
OPENEYE Name: (4aS,12bR)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
IUPAC Name: (4aS,12bR)-8,10-dihydroxy-2-(hydroxymethyl)-5,5-dimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
SYSTEMATIC NAME: (4aS,12bR)-2-(hydroxymethyl)-5,5-dimethyl-8,10-bis(oxidanyl)-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
MOLECULAR FORMULA: C20H20O6
MOLECULAR WEIGHT: 356.3692
SMILES: CC1([C@H]2CCC(=C[C@H]2C3=C(O1)C(=O)C4=C(C=C(C=C4C3=O)O)O)CO)C
Structure:
CAS RN: 137109-43-4
CAS Name: (4aS,12bR)-8,10-dimethoxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c][2]benzopyran-7,12-dione
OPENEYE Name: (4aS,12bR)-8,10-dimethoxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
IUPAC Name: (4aS,12bR)-8,10-dimethoxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
SYSTEMATIC NAME: (4aS,12bR)-8,10-dimethoxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
MOLECULAR FORMULA: C22H24O5
MOLECULAR WEIGHT: 368.42296
SMILES: CC1=C[C@@H]2[C@H](CC1)C(OC3=C2C(=O)C4=CC(=CC(=C4C3=O)OC)OC)(C)C
Structure:
CAS RN: 137109-42-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34N4O4
MOLECULAR WEIGHT: 490.59396
SMILES: CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1C)C(C4=CNC5=CC=CC=C54)C(CO)O)CO
Structure:
CAS RN: 137084-98-1
CAS Name: 3-(1-oxobutylamino)benzamide
OPENEYE Name: 3-(butanoylamino)benzamide
IUPAC Name: 3-(butanoylamino)benzamide
SYSTEMATIC NAME: 3-(butanoylamino)benzamide
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: CCCC(=O)NC1=CC=CC(=C1)C(=O)N
Structure:
CAS RN: 137046-51-6
CAS Name: 1,3-dimethyl-7-[4-(2-nitro-1-imidazolyl)butyl]purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-7-[4-(2-nitroimidazol-1-yl)butyl]purine-2,6-dione
IUPAC Name: 1,3-dimethyl-7-[4-(2-nitroimidazol-1-yl)butyl]purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-[4-(2-nitroimidazol-1-yl)butyl]purine-2,6-dione
MOLECULAR FORMULA: C14H17N7O4
MOLECULAR WEIGHT: 347.32928
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3C=CN=C3[N+](=O)[O-]
Structure:
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