CAS RN: 136451-58-6
CAS Name: 2-[3-[2-(4,5-diphenyl-2-oxazolyl)ethyl]phenoxy]acetic acid
OPENEYE Name: 2-[3-[2-(4,5-diphenyloxazol-2-yl)ethyl]phenoxy]acetic acid
IUPAC Name: 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C25H21NO4
MOLECULAR WEIGHT: 399.43854
SMILES: C1=CC=C(C=C1)C2=C(OC(=N2)CCC3=CC(=CC=C3)OCC(=O)O)C4=CC=CC=C4
Structure:
CAS RN: 136451-54-2
CAS Name: 9-(4,5-diphenyl-2-oxazolyl)nonanoic acid
OPENEYE Name: 9-(4,5-diphenyloxazol-2-yl)nonanoic acid
IUPAC Name: 9-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid
SYSTEMATIC NAME: 9-(4,5-diphenyl-1,3-oxazol-2-yl)nonanoic acid
MOLECULAR FORMULA: C24H27NO3
MOLECULAR WEIGHT: 377.47608
SMILES: C1=CC=C(C=C1)C2=C(OC(=N2)CCCCCCCCC(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 136440-73-8
CAS Name: (8S,9S,10R,11S,13S,14S)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid fluoromethyl ester
OPENEYE Name: fluoromethyl (8S,9S,10R,11S,13S,14S)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
IUPAC Name: fluoromethyl (8S,9S,10R,11S,13S,14S)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
SYSTEMATIC NAME: fluoranylmethyl (8S,9S,10R,11S,13S,14S)-17-ethoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
MOLECULAR FORMULA: C24H31FO7
MOLECULAR WEIGHT: 450.497143
SMILES: CCOC(=O)OC1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCF
Structure:
CAS RN: 136427-57-1
CAS Name: (2S,5S)-2-[(2-amino-1-oxoethyl)-propylamino]-5-formamido-7-(methylthio)-4-oxo-3-phenyl-2-propylheptanoic acid methyl ester
OPENEYE Name: methyl (2S,5S)-2-[(2-aminoacetyl)-propyl-amino]-5-formamido-7-methylsulfanyl-4-oxo-3-phenyl-2-propyl-heptanoate
IUPAC Name: methyl (2S,5S)-2-[(2-aminoacetyl)-propylamino]-5-formamido-7-methylsulfanyl-4-oxo-3-phenyl-2-propylheptanoate
SYSTEMATIC NAME: methyl (2S,5S)-2-[2-azanylethanoyl(propyl)amino]-5-formamido-7-methylsulfanyl-4-oxidanylidene-3-phenyl-2-propyl-heptanoate
MOLECULAR FORMULA: C24H37N3O5S
MOLECULAR WEIGHT: 479.63268
SMILES: CCC[C@](C(C1=CC=CC=C1)C(=O)[C@H](CCSC)NC=O)(C(=O)OC)N(CCC)C(=O)CN
Structure:
CAS RN: 136396-64-0
CAS Name: acetic acid [2-[1-(2-acetyloxypropyl)-2-pyrrolyl]-2-oxoethyl] ester
OPENEYE Name: [2-[1-(2-acetoxypropyl)pyrrol-2-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[1-(2-acetyloxypropyl)pyrrol-2-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[1-(2-acetyloxypropyl)pyrrol-2-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C13H17NO5
MOLECULAR WEIGHT: 267.27778
SMILES: CC(CN1C=CC=C1C(=O)COC(=O)C)OC(=O)C
Structure:
CAS RN: 136374-73-7
CAS Name: (4R)-4-[[(3-chlorophenyl)-oxomethyl]amino]-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid
OPENEYE Name: (4R)-4-[(3-chlorobenzoyl)amino]-5-(3,3-dimethylbutylamino)-5-oxo-pentanoic acid
IUPAC Name: (4R)-4-[(3-chlorobenzoyl)amino]-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3-chlorophenyl)carbonylamino]-5-(3,3-dimethylbutylamino)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C18H25ClN2O4
MOLECULAR WEIGHT: 368.8551
SMILES: CC(C)(C)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC(=CC=C1)Cl
Structure:
CAS RN: 136320-56-4
CAS Name: (4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(9R,10S,13R,17R)-10,13-dimethyl-3-oxidanyl-15-oxidanylidene-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H36O4
MOLECULAR WEIGHT: 388.54024
SMILES: C[C@H](CCC(=O)O)[C@H]1CC(=O)C2=C3CCC4CC(CC[C@@]4([C@H]3CC[C@]12C)C)O
Structure:
CAS RN: 411207-31-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22BrNO4S2
MOLECULAR WEIGHT: 472.41628
SMILES: C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
Structure:
CAS RN: 136286-50-5
CAS Name: (2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)thio]-2-acetamidopropanoic acid
OPENEYE Name: (2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamido-propanoic acid
IUPAC Name: (2R)-3-[(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[[3-methyl-4a,6,8,12a,12b-pentakis(oxidanyl)-1,7,12-tris(oxidanylidene)-5,6-dihydro-4H-benzo[a]anthracen-6a-yl]sulfanyl]propanoic acid
MOLECULAR FORMULA: C24H25NO11S
MOLECULAR WEIGHT: 535.5204
SMILES: CC1=CC(=O)C2(C(C1)(CC(C3(C2(C(=O)C4=C(C3=O)C(=CC=C4)O)O)SC[C@@H](C(=O)O)NC(=O)C)O)O)O
Structure:
CAS RN: 136286-49-2
CAS Name: (2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)thio]-2-acetamidopropanoic acid
OPENEYE Name: (2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamido-propanoic acid
IUPAC Name: (2R)-3-[(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-5,6-dihydro-4H-benzo[a]anthracen-6a-yl)sulfanyl]-2-acetamidopropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[[3-methyl-4a,8,12a,12b-tetrakis(oxidanyl)-1,7,12-tris(oxidanylidene)-5,6-dihydro-4H-benzo[a]anthracen-6a-yl]sulfanyl]propanoic acid
MOLECULAR FORMULA: C24H25NO10S
MOLECULAR WEIGHT: 519.521
SMILES: CC1=CC(=O)C2(C(C1)(CCC3(C2(C(=O)C4=C(C3=O)C(=CC=C4)O)O)SC[C@@H](C(=O)O)NC(=O)C)O)O
Structure:
CAS RN: 136266-37-0
CAS Name: (2R,3R,4S)-3-carbonoperoxoyl-4-dodecyl-4-hydroxy-5-oxo-2-oxolanecarboxylic acid
OPENEYE Name: (2R,3R,4S)-3-carbonoperoxoyl-4-dodecyl-4-hydroxy-5-oxo-tetrahydrofuran-2-carboxylic acid
IUPAC Name: (2R,3R,4S)-3-carbonoperoxoyl-4-dodecyl-4-hydroxy-5-oxooxolane-2-carboxylic acid
SYSTEMATIC NAME: (2R,3R,4S)-3-carbonoperoxoyl-4-dodecyl-4-oxidanyl-5-oxidanylidene-oxolane-2-carboxylic acid
MOLECULAR FORMULA: C18H30O8
MOLECULAR WEIGHT: 374.426
SMILES: CCCCCCCCCCCC[C@@]1([C@@H]([C@@H](OC1=O)C(=O)O)C(=O)OO)O
Structure:
CAS RN: 136266-36-9
CAS Name: 3-carbonoperoxoyl-4-(1-hydroxydodecyl)-5-oxo-2-oxolanecarboxylic acid
OPENEYE Name: 3-carbonoperoxoyl-4-(1-hydroxydodecyl)-5-oxo-tetrahydrofuran-2-carboxylic acid
IUPAC Name: 3-carbonoperoxoyl-4-(1-hydroxydodecyl)-5-oxooxolane-2-carboxylic acid
SYSTEMATIC NAME: 3-carbonoperoxoyl-4-(1-oxidanyldodecyl)-5-oxidanylidene-oxolane-2-carboxylic acid
MOLECULAR FORMULA: C18H30O8
MOLECULAR WEIGHT: 374.426
SMILES: CCCCCCCCCCCC(C1C(C(OC1=O)C(=O)O)C(=O)OO)O
Structure:
CAS RN: 136266-35-8
CAS Name: (2S,3R,4R)-2-[dodecoxy(oxo)methyl]-4-hydroxy-5-oxo-3-oxolanecarboperoxoic acid
OPENEYE Name: (2S,3R,4R)-2-dodecoxycarbonyl-4-hydroxy-5-oxo-tetrahydrofuran-3-carboperoxoic acid
IUPAC Name: (2S,3R,4R)-2-dodecoxycarbonyl-4-hydroxy-5-oxooxolane-3-carboperoxoic acid
SYSTEMATIC NAME: (2S,3R,4R)-2-dodecoxycarbonyl-4-oxidanyl-5-oxidanylidene-oxolane-3-carboperoxoic acid
MOLECULAR FORMULA: C18H30O8
MOLECULAR WEIGHT: 374.426
SMILES: CCCCCCCCCCCCOC(=O)[C@@H]1[C@@H]([C@H](C(=O)O1)O)C(=O)OO
Structure:
CAS RN: 136266-34-7
CAS Name: (5R,7R)-2-decyl-6,7-dihydroxy-4,8-dioxo-3,9-dioxaspiro[4.4]nonane-6-carboxylic acid
OPENEYE Name: (5R,7R)-2-decyl-6,7-dihydroxy-4,8-dioxo-3,9-dioxaspiro[4.4]nonane-6-carboxylic acid
IUPAC Name: (5R,7R)-2-decyl-6,7-dihydroxy-4,8-dioxo-3,9-dioxaspiro[4.4]nonane-6-carboxylic acid
SYSTEMATIC NAME: (5R,7R)-2-decyl-6,7-bis(oxidanyl)-4,8-bis(oxidanylidene)-3,9-dioxaspiro[4.4]nonane-6-carboxylic acid
MOLECULAR FORMULA: C18H28O8
MOLECULAR WEIGHT: 372.41012
SMILES: CCCCCCCCCCC1C[C@]2(C(=O)O1)C([C@H](C(=O)O2)O)(C(=O)O)O
Structure:
CAS RN: 136266-33-6
CAS Name: (5R,7R)-2-dec-9-enyl-6,7-dihydroxy-4,8-dioxo-3,9-dioxaspiro[4.4]nonane-6-carboxylic acid
OPENEYE Name: (5R,7R)-2-dec-9-enyl-6,7-dihydroxy-4,8-dioxo-3,9-dioxaspiro[4.4]nonane-6-carboxylic acid
IUPAC Name: (5R,7R)-2-dec-9-enyl-6,7-dihydroxy-4,8-dioxo-3,9-dioxaspiro[4.4]nonane-6-carboxylic acid
SYSTEMATIC NAME: (5R,7R)-2-dec-9-enyl-6,7-bis(oxidanyl)-4,8-bis(oxidanylidene)-3,9-dioxaspiro[4.4]nonane-6-carboxylic acid
MOLECULAR FORMULA: C18H26O8
MOLECULAR WEIGHT: 370.39424
SMILES: C=CCCCCCCCCC1C[C@]2(C(=O)O1)C([C@H](C(=O)O2)O)(C(=O)O)O
Structure:
CAS RN: 136209-43-3
CAS Name: 2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid
OPENEYE Name: 2-[(3S,10S,13R,14R,17S)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid
IUPAC Name: 2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid
SYSTEMATIC NAME: 2-[(3S,10S,13R,14R,17S)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]ethanoic acid
MOLECULAR FORMULA: C31H50O3
MOLECULAR WEIGHT: 470.7269
SMILES: C[C@H](CCCC(C)C)[C@H]1C=C[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)CC(=O)O
Structure:
CAS RN: 136198-41-9
CAS Name: N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[(2S,3R,4R,5R,6R)-2-[(1S,2R,3R)-3-acetamido-1-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C16H28N2O11
MOLECULAR WEIGHT: 424.40032
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)O)O
Structure:
CAS RN: 136181-93-6
CAS Name: (2S)-N,N'-didecyl-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanediamide
OPENEYE Name: (2S)-N,N'-didecyl-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanediamide
IUPAC Name: (2S)-N,N'-didecyl-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanediamide
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-N,N'-didecyl-pentanediamide
MOLECULAR FORMULA: C40H64N10O3
MOLECULAR WEIGHT: 733.00136
SMILES: CCCCCCCCCCNC(=O)CC[C@@H](C(=O)NCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 136109-04-1
CAS Name: (3S,4aR,6S,8aR)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
OPENEYE Name: (3S,4aR,6S,8aR)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
IUPAC Name: (3S,4aR,6S,8aR)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: (3S,4aR,6S,8aR)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C11H20NO5P
MOLECULAR WEIGHT: 277.253961
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CP(=O)(O)O)C(=O)O
Structure:
CAS RN: 137433-06-8
CAS Name: (3S,4aR,6S,8aR)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
OPENEYE Name: (3S,4aR,6S,8aR)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
IUPAC Name: (3S,4aR,6S,8aR)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
SYSTEMATIC NAME: (3S,4aR,6S,8aR)-6-(phosphonomethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C11H20NO5P
MOLECULAR WEIGHT: 277.253961
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CP(=O)(O)O)C(=O)O
Structure:
CAS RN: 136071-58-4
CAS Name: (2S)-2-[(6-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine; methanesulfonic acid
OPENEYE Name: (2S)-2-[(6-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine; methanesulfonic acid
IUPAC Name: (2S)-2-[(6-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine; methanesulfonic acid
SYSTEMATIC NAME: (2S)-2-[(6-fluoranyl-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine; methanesulfonic acid
MOLECULAR FORMULA: C15H23FN2O5S
MOLECULAR WEIGHT: 362.416923
SMILES: CS(=O)(=O)O.C1CC2=CC(=CC(=C2NC1)OC[C@@H]3CNCCO3)F
Structure:
CAS RN: 136051-41-7
CAS Name: 4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)-3-oxolanyl]methyl]-2,6-dimethoxyphenol
OPENEYE Name: 4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxy-phenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]methyl]-2,6-dimethoxy-phenol
IUPAC Name: 4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2,6-dimethoxyphenol
SYSTEMATIC NAME: 4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2,6-dimethoxy-phenol
MOLECULAR FORMULA: C21H26O7
MOLECULAR WEIGHT: 390.42694
SMILES: COC1=CC(=CC(=C1O)OC)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC
Structure:
CAS RN: 136036-84-5
CAS Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C16H28N2O11
MOLECULAR WEIGHT: 424.40032
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@H]([C@@H]([C@@H]([C@H](C=O)NC(=O)C)O)O)O)CO)O)O
Structure:
CAS RN: 136026-77-2
CAS Name: [4-(1,2-diamino-2-oxoethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
OPENEYE Name: [4-(1,2-diamino-2-oxo-ethyl)-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate
IUPAC Name: [4-(1,2-diamino-2-oxoethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [4-[1,2-bis(azanyl)-2-oxidanylidene-ethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C9H14N3O6P
MOLECULAR WEIGHT: 291.197721
SMILES: CC1=NC=C(C(=C1O)C(C(=O)N)N)COP(=O)(O)O
Structure:
CAS RN: 136013-69-9
CAS Name: 2-(cyclopropylmethoxy)-N-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-oxomethyl]benzamide
OPENEYE Name: 2-(cyclopropylmethoxy)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide
IUPAC Name: 2-(cyclopropylmethoxy)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide
SYSTEMATIC NAME: 2-(cyclopropylmethoxy)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide
MOLECULAR FORMULA: C20H27N3O3
MOLECULAR WEIGHT: 357.44668
SMILES: CN1C2CCC1CC(C2)NC(=O)NC(=O)C3=CC=CC=C3OCC4CC4
Structure:
CAS RN: 135991-48-9
CAS Name: 4-(2-fluorophenyl)-6-methyl-2-(1-piperazinyl)thieno[2,3-d]pyrimidine
OPENEYE Name: 4-(2-fluorophenyl)-6-methyl-2-piperazin-1-yl-thieno[2,3-d]pyrimidine
IUPAC Name: 4-(2-fluorophenyl)-6-methyl-2-piperazin-1-ylthieno[2,3-d]pyrimidine
SYSTEMATIC NAME: 4-(2-fluorophenyl)-6-methyl-2-piperazin-1-yl-thieno[2,3-d]pyrimidine
MOLECULAR FORMULA: C17H17FN4S
MOLECULAR WEIGHT: 328.407083
SMILES: CC1=CC2=C(N=C(N=C2S1)N3CCNCC3)C4=CC=CC=C4F
Structure:
CAS RN: 135961-68-1
CAS Name: N-methyl-2,3-dioctadecoxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
OPENEYE Name: N-methyl-2,3-dioctadecoxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
IUPAC Name: N-methyl-2,3-dioctadecoxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]propanamide
SYSTEMATIC NAME: N-methyl-2,3-dioctadecoxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]propanamide
MOLECULAR FORMULA: C46H93NO8
MOLECULAR WEIGHT: 788.23252
SMILES: CCCCCCCCCCCCCCCCCCOCC(C(=O)N(C)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)OCCCCCCCCCCCCCCCCCC
Structure:
CAS RN: 135947-75-0
CAS Name: 2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)-2-oxolanyl]phenyl]sulfonylethanol
OPENEYE Name: 2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]phenyl]sulfonylethanol
IUPAC Name: 2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]sulfonylethanol
SYSTEMATIC NAME: 2-[3-methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]sulfonylethanol
MOLECULAR FORMULA: C25H34O9S
MOLECULAR WEIGHT: 510.59706
SMILES: CCCOC1=C(C=C(C=C1S(=O)(=O)CCO)[C@@H]2CC[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)OC
Structure:
CAS RN: 135906-72-8
CAS Name: 7-(3-amino-1-pyrrolidinyl)-9-cyclopropyl-6,8-difluoroisothiazolo[5,4-b]quinoline-3,4-dione
OPENEYE Name: 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6,8-difluoro-isothiazolo[5,4-b]quinoline-3,4-dione
IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SYSTEMATIC NAME: 7-(3-azanylpyrrolidin-1-yl)-9-cyclopropyl-6,8-bis(fluoranyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
MOLECULAR FORMULA: C17H16F2N4O2S
MOLECULAR WEIGHT: 378.396346
SMILES: C1CC1N2C3=C(C(=C(C=C3C(=O)C4=C2SNC4=O)F)N5CCC(C5)N)F
Structure:
CAS RN: 135891-44-0
CAS Name: 2-acetamido-3-hydroxybenzoic acid
OPENEYE Name: 2-acetamido-3-hydroxy-benzoic acid
IUPAC Name: 2-acetamido-3-hydroxybenzoic acid
SYSTEMATIC NAME: 2-acetamido-3-oxidanyl-benzoic acid
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: CC(=O)NC1=C(C=CC=C1O)C(=O)O
Structure:
CAS RN: 135884-98-9
CAS Name: (2S)-2-[(3S)-2-oxo-3-(phenylmethyl)-1-piperazinyl]-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[(3S)-3-benzyl-2-oxo-piperazin-1-yl]-3-phenyl-propanoate
IUPAC Name: methyl (2S)-2-[(3S)-3-benzyl-2-oxopiperazin-1-yl]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2S)-2-[(3S)-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]-3-phenyl-propanoate
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: COC(=O)[C@H](CC1=CC=CC=C1)N2CCN[C@H](C2=O)CC3=CC=CC=C3
Structure:
CAS RN: 135884-94-5
CAS Name: 3-methyl-2-(2-oxo-3-propan-2-yl-1-piperazinyl)butanoic acid methyl ester
OPENEYE Name: methyl 2-(3-isopropyl-2-oxo-piperazin-1-yl)-3-methyl-butanoate
IUPAC Name: methyl 3-methyl-2-(2-oxo-3-propan-2-ylpiperazin-1-yl)butanoate
SYSTEMATIC NAME: methyl 3-methyl-2-(2-oxidanylidene-3-propan-2-yl-piperazin-1-yl)butanoate
MOLECULAR FORMULA: C13H24N2O3
MOLECULAR WEIGHT: 256.34126
SMILES: CC(C)C1C(=O)N(CCN1)C(C(C)C)C(=O)OC
Structure:
CAS RN: 135883-24-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H90O9
MOLECULAR WEIGHT: 883.287
SMILES: CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(CC(C4(C2=O)C=C(C(C4(C1O)O)OC(=O)C(C)C(C)C)C)C)OC(=O)CCCCCCCCCCC)(C)C
Structure:
CAS RN: 135857-70-4
CAS Name: 6-phenyl-2-propyl-5,6-dihydroimidazo[2,1-b]thiazole
OPENEYE Name: 6-phenyl-2-propyl-5,6-dihydroimidazo[2,1-b]thiazole
IUPAC Name: 6-phenyl-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 6-phenyl-2-propyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C14H16N2S
MOLECULAR WEIGHT: 244.35524
SMILES: CCCC1=CN2CC(N=C2S1)C3=CC=CC=C3
Structure:
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