CAS RN: 2450-53-5
CAS Name: (3R,5R)-3,5-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4-dihydroxy-1-cyclohexanecarboxylic acid
OPENEYE Name: (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic acid
IUPAC Name: (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (3R,5R)-3,5-bis[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]-1,4-bis(oxidanyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C25H24O12
MOLECULAR WEIGHT: 516.45086
SMILES: C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O
Structure:
CAS RN: 32451-88-0
CAS Name: (1R,3R,4S,5R)-3,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,5-dihydroxy-1-cyclohexanecarboxylic acid
OPENEYE Name: (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexanecarboxylic acid
IUPAC Name: (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (1R,3R,4S,5R)-3,4-bis[[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy]-1,5-bis(oxidanyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C25H24O12
MOLECULAR WEIGHT: 516.45086
SMILES: C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
Structure:
CAS RN: 112899-35-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H48O18
MOLECULAR WEIGHT: 768.75552
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H](C(C([C@@H]4C(C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Structure:
CAS RN: 20244-86-4
CAS Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-methyl-6-purin-9-iumolate
OPENEYE Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-purin-9-ium-6-olate
IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methylpurin-9-ium-6-olate
SYSTEMATIC NAME: 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-methyl-purin-9-ium-6-olate
MOLECULAR FORMULA: C11H15N5O5
MOLECULAR WEIGHT: 297.2673
SMILES: CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 88801-85-8
CAS Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
OPENEYE Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
IUPAC Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-[(1R,2S,3R,4R)-4-(hydroxymethyl)-2,3-bis(oxidanyl)cyclopentyl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H15N5O3S
MOLECULAR WEIGHT: 297.3335
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2NC(=NC3=S)N)O)O)CO
Structure:
CAS RN: 88801-86-9
CAS Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
OPENEYE Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
IUPAC Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-[(1R,2S,3R,4R)-4-(hydroxymethyl)-2,3-bis(oxidanyl)cyclopentyl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H15N5O3S
MOLECULAR WEIGHT: 297.3335
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2NC(=NC3=S)N)O)O)CO
Structure:
CAS RN: 50619-40-4
CAS Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(1R,2S,3R,4R)-4-(hydroxymethyl)-2,3-bis(oxidanyl)cyclopentyl]-3H-purin-6-one
MOLECULAR FORMULA: C11H15N5O4
MOLECULAR WEIGHT: 281.2679
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2NC(=NC3=O)N)O)O)CO
Structure:
CAS RN: 88852-59-9
CAS Name: (1R,2S,3R,5R)-3-(2,6-diamino-9-purinyl)-5-(hydroxymethyl)cyclopentane-1,2-diol
OPENEYE Name: (1R,2S,3R,5R)-3-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
IUPAC Name: (1R,2S,3R,5R)-3-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
SYSTEMATIC NAME: (1R,2S,3R,5R)-3-[2,6-bis(azanyl)purin-9-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol
MOLECULAR FORMULA: C11H16N6O3
MOLECULAR WEIGHT: 280.28314
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2N=C(N=C3N)N)O)O)CO
Structure:
CAS RN: 21411-53-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H35N3O7
MOLECULAR WEIGHT: 525.5934
SMILES: C[C@H]1/C=C/C(=O)NC/C=C/C(=C/[C@@H](CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@H]1C(C)C)O)/C
Structure:
CAS RN: 22601-59-8
CAS Name: (4R)-4-[[(2S)-2-[[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydrothiazol-4-yl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15R,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(
OPENEYE Name: (4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-amino-2-methyl-butyl]-4,5-dihydrothiazole-4-carbonyl]amino]-4-methyl-pentanoyl]amino]-5-[[(1S,2S)-1-[[(3S,6R,9S,12R,15R,18R,21S)-3-(2-amino-2-oxo-ethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-9-(1H-imidazol-5-yl
IUPAC Name: (4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15R,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymeth
SYSTEMATIC NAME: (4R)-4-[[(2S)-2-[[(4R)-2-[(1S,2S)-1-azanyl-2-methyl-butyl]-4,5-dihydro-1,3-thiazol-4-yl]carbonylamino]-4-methyl-pentanoyl]amino]-5-[[(2S,3S)-1-[[(3S,6R,9S,12R,15R,18R,21S)-3-(2-azanyl-2-oxidanylidene-ethyl)-18-(3-azanylpropyl)-15-[(2S)-butan-2-yl]-6-(2-hy
MOLECULAR FORMULA: C66H103N17O16S
MOLECULAR WEIGHT: 1422.69332
SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
Structure:
CAS RN: 11024-24-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H92O29
MOLECULAR WEIGHT: 1229.31228
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O
Structure:
CAS RN: 508-77-0
CAS Name: (3S,5S,8S,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: (3S,5S,8S,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: (3S,5S,8S,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,5S,8S,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C30H44O9
MOLECULAR WEIGHT: 548.66496
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O
Structure:
CAS RN: 77642-19-4
CAS Name: (1R,2Z,4E,6E,10S,12E,16S,21S)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione
OPENEYE Name: (1R,2Z,4E,6E,10S,12E,16S,21S)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione
IUPAC Name: (1R,2Z,4E,6E,10S,12E,16S,21S)-16,20-dihydroxy-21-methoxy-3-methyl-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione
SYSTEMATIC NAME: (1R,2Z,4E,6E,10S,12E,16S,21S)-21-methoxy-3-methyl-16,20-bis(oxidanyl)-10-phenyl-9-azabicyclo[17.3.0]docosa-2,4,6,12,19-pentaene-8,18-dione
MOLECULAR FORMULA: C29H35NO5
MOLECULAR WEIGHT: 477.5919
SMILES: C/C/1=C/[C@H]2C[C@@H](C(=C2C(=O)C[C@H](CC/C=C/C[C@H](NC(=O)/C=C\C=C1)C3=CC=CC=C3)O)O)OC
Structure:
CAS RN: 161935-14-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H70N10O14
MOLECULAR WEIGHT: 1083.1922
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C.C1=CN=CC=C1C(=O)NN.C1=CN=C(C=N1)C(=O)N
Structure:
CAS RN: 51683-28-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H65N7O13
MOLECULAR WEIGHT: 960.0795
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C.C1=CN=CC=C1C(=O)NN
Structure:
CAS RN: 13292-45-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H56N4O12
MOLECULAR WEIGHT: 808.91364
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCNCC5)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 51707-11-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H54N4O13
MOLECULAR WEIGHT: 858.92926
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NNC(=O)C5=CC=C(C=C5)N)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 7681-93-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H47NO13
MOLECULAR WEIGHT: 665.72518
SMILES: C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](CC2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)O)OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O
Structure:
CAS RN: 5448-92-0
CAS Name: N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
OPENEYE Name: N-[4-[[(E)-(4-methoxyphenyl)methyleneamino]sulfamoyl]phenyl]acetamide
IUPAC Name: N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[(E)-(4-methoxyphenyl)methylideneamino]sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H17N3O4S
MOLECULAR WEIGHT: 347.38888
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)OC
Structure:
CAS RN: 6949-57-1
CAS Name: N-[4-[[(E)-(phenylmethylene)amino]sulfamoyl]phenyl]acetamide
OPENEYE Name: N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide
IUPAC Name: N-[4-[[(E)-benzylideneamino]sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[(E)-(phenylmethylidene)amino]sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C15H15N3O3S
MOLECULAR WEIGHT: 317.3629
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=CC=C2
Structure:
CAS RN: 122188-46-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H66N4O12
MOLECULAR WEIGHT: 891.05724
SMILES: CCC1CCC2CN(CCN2C1)N/C=C/3\C4=C(C5=C(C(=C6C(=C5C3=O)C(=O)[C@](O6)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 62013-04-1
CAS Name: (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-4,12-dihydroxy-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10
OPENEYE Name: (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8
IUPAC Name: (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-
SYSTEMATIC NAME: (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-4,12-bis(oxidanyl
MOLECULAR FORMULA: C42H78N2O14
MOLECULAR WEIGHT: 835.07372
SMILES: CC[C@@H]1[C@@]([C@H]2[C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N[C@H](O2)COCCOC)C)(C)O
Structure:
CAS RN: 113102-19-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H55N3O11S
MOLECULAR WEIGHT: 809.9646
SMILES: CCN(CC)C1=NC2=C(S1)C3=C(C4=C2C5=C(C(=C4O)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N3)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O
Structure:
CAS RN: 20554-84-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
Structure:
CAS RN: 79039-56-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H62N4O11
MOLECULAR WEIGHT: 834.99398
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C6CCCC6)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C)O)O)/C
Structure:
CAS RN: 122188-44-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H67N3O12
MOLECULAR WEIGHT: 914.09058
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2N5CCN(CC5)CC6=C(C=C(C=C6C)C)C)O)O)/C
Structure:
CAS RN: 143205-42-9
CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-[(2S)-butan-2-yl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-
OPENEYE Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-24-[(1S)-1-methylpropyl]-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-[(2S)-butan-2-yl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-
SYSTEMATIC NAME: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-[(2S)-butan-2-yl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontan
MOLECULAR FORMULA: C62H111N11O12
MOLECULAR WEIGHT: 1202.61124
SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)[C@@H](C)CC)C)C
Structure:
CAS RN: 104987-11-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H69NO12
MOLECULAR WEIGHT: 804.01816
SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC
Structure:
CAS RN: 97412-77-6
CAS Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(5-hydroxy-1,6,8-trimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-5-oxazolyl)deca-4,6,8-trienamide
OPENEYE Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(5-hydroxy-1,6,8-trimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl)-9-methoxy-7-methyl-nona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyloxazol-5-yl)deca-4,6,8-trienamide
IUPAC Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(5-hydroxy-1,6,8-trimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)deca-4,6,8-trienamide
SYSTEMATIC NAME: (4Z,6Z,8E)-N-[(2E,4E)-9-methoxy-7-methyl-6-oxidanyl-9-[1,6,8-trimethyl-5-oxidanyl-3,7-bis(oxidanylidene)-2-oxa-8-azaspiro[3.4]octan-5-yl]nona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)-3-oxidanyl-deca-4,6,8-trienamide
MOLECULAR FORMULA: C37H53N3O9
MOLECULAR WEIGHT: 683.83142
SMILES: CC1C(=O)N(C2(C1(C(CC(C)C(/C=C/C=C/CNC(=O)C(C)(C)C(/C(=C\C=C/C=C/CC3=CN=C(O3)C)/C)O)O)OC)O)C(OC2=O)C)C
Structure:
CAS RN: 97412-76-5
CAS Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-[5-hydroxy-1-(methoxymethyl)-6,8-dimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-5-oxazolyl)deca-4,6,8-trienamide
OPENEYE Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-[5-hydroxy-1-(methoxymethyl)-6,8-dimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl]-9-methoxy-7-methyl-nona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyloxazol-5-yl)deca-4,6,8-trienamide
IUPAC Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-[5-hydroxy-1-(methoxymethyl)-6,8-dimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)deca-4,6,8-trienamide
SYSTEMATIC NAME: (4Z,6Z,8E)-N-[(2E,4E)-9-methoxy-9-[1-(methoxymethyl)-6,8-dimethyl-5-oxidanyl-3,7-bis(oxidanylidene)-2-oxa-8-azaspiro[3.4]octan-5-yl]-7-methyl-6-oxidanyl-nona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)-3-oxidanyl-deca-4,6,8-trienamide
MOLECULAR FORMULA: C38H55N3O10
MOLECULAR WEIGHT: 713.8574
SMILES: CC1C(=O)N(C2(C1(C(CC(C)C(/C=C/C=C/CNC(=O)C(C)(C)C(/C(=C\C=C/C=C/CC3=CN=C(O3)C)/C)O)O)OC)O)C(OC2=O)COC)C
Structure:
CAS RN: 154037-53-3
CAS Name: (7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-2-benzopyran-6-one; (7R,8R)-5-chloro-3-[(1E,3Z,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-2-benzopyran-6-one
OPENEYE Name: (7R,8R)-8-acetonyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8H-isochromen-6-one; (7R,8R)-8-acetonyl-5-chloro-3-[(1E,3Z,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8H-isochromen-6-one
IUPAC Name: (7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one; (7R,8R)-5-chloro-3-[(1E,3Z,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-8H-isochromen-6-one
SYSTEMATIC NAME: (7R,8R)-5-chloranyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-7-oxidanyl-8-(2-oxidanylidenepropyl)-8H-isochromen-6-one; (7R,8R)-5-chloranyl-3-[(1E,3Z,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-7-oxidanyl-8-(2-oxidanylidenepropyl)-8H-isochromen-
MOLECULAR FORMULA: C44H54Cl2O8
MOLECULAR WEIGHT: 781.80076
SMILES: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]([C@@H](C2=CO1)CC(=O)C)(C)O)Cl.CC[C@H](C)/C=C(/C)\C=C\C1=CC2=C(C(=O)[C@]([C@@H](C2=CO1)CC(=O)C)(C)O)Cl
Structure:
CAS RN: 141994-72-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H39NO4
MOLECULAR WEIGHT: 477.63496
SMILES: C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@H](C1)C)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O
Structure:
CAS RN: 53003-10-4
CAS Name: (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5R,7S,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-2-oxanyl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyl-2-oxanyl
OPENEYE Name: (2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,5R,7S,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-5-me
IUPAC Name: (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5R,7S,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl
SYSTEMATIC NAME: (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5R,7S,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl]-3,10,12-trimethyl-15-oxidanyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-4-methyl-3-oxidanyl-5-oxidanylidene-octan-2-yl]-5-
MOLECULAR FORMULA: C42H70O11
MOLECULAR WEIGHT: 750.9986
SMILES: CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@@]3(O2)C=C[C@H]([C@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O
Structure:
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