CAS RN: 71302-34-6
CAS Name: 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyl-2-oxolanone
OPENEYE Name: 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyl-tetrahydrofuran-2-one
IUPAC Name: 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one
SYSTEMATIC NAME: 5-[(2R)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5S)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-3-oxidanyl-oxolan-2-one
MOLECULAR FORMULA: C27H40O4
MOLECULAR WEIGHT: 428.6041
SMILES: C[C@H](CC1CC(C(=O)O1)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](CCC4=C)O)C
Structure:
CAS RN: 61389-30-8
CAS Name: (4Z)-4-[(2E,4E)-5-(5-oxo-3-phenyl-2H-isoxazol-4-yl)penta-2,4-dienylidene]-3-phenyl-5-isoxazolone
OPENEYE Name: (4Z)-4-[(2E,4E)-5-(5-oxo-3-phenyl-2H-isoxazol-4-yl)penta-2,4-dienylidene]-3-phenyl-isoxazol-5-one
IUPAC Name: (4Z)-4-[(2E,4E)-5-(5-oxo-3-phenyl-2H-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-phenyl-1,2-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-[(2E,4E)-5-(5-oxidanylidene-3-phenyl-2H-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-phenyl-1,2-oxazol-5-one
MOLECULAR FORMULA: C23H16N2O4
MOLECULAR WEIGHT: 384.38414
SMILES: C1=CC=C(C=C1)C2=C(C(=O)ON2)/C=C/C=C/C=C\3/C(=NOC3=O)C4=CC=CC=C4
Structure:
CAS RN: 118694-43-2
CAS Name: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-5-hydroxy-1,5-dimethyl-hex-3-ynyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H38O3
MOLECULAR WEIGHT: 410.58882
SMILES: C[C@H](CC#CC(C)(C)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 136236-48-1
CAS Name: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-5-hydroxy-1,5-dimethyl-hex-3-ynyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H38O3
MOLECULAR WEIGHT: 410.58882
SMILES: C[C@H](CC#CC(C)(C)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 205672-94-2
CAS Name: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-5-hydroxy-1,5-dimethyl-hex-3-ynyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H38O3
MOLECULAR WEIGHT: 410.58882
SMILES: C[C@H](CC#CC(C)(C)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 85278-66-6
CAS Name: (E)-2-(3,4-dimethoxyphenyl)-3-fluoro-2-propen-1-amine
OPENEYE Name: (E)-2-(3,4-dimethoxyphenyl)-3-fluoro-prop-2-en-1-amine
IUPAC Name: (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine
SYSTEMATIC NAME: (E)-2-(3,4-dimethoxyphenyl)-3-fluoranyl-prop-2-en-1-amine
MOLECULAR FORMULA: C11H14FNO2
MOLECULAR WEIGHT: 211.232763
SMILES: COC1=C(C=C(C=C1)/C(=C\F)/CN)OC
Structure:
CAS RN: 130580-02-8
CAS Name: (E)-2-butenedioic acid; 4-[(E)-3-[2-(dimethylamino)ethoxyamino]-3-(2-fluorophenyl)prop-2-enylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[(E)-3-[2-(dimethylamino)ethoxyamino]-3-(2-fluorophenyl)prop-2-enylidene]cyclohexa-2,5-dien-1-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 4-[(E)-3-[2-(dimethylamino)ethoxyamino]-3-(2-fluorophenyl)prop-2-enylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-[(E)-3-[2-(dimethylamino)ethoxyamino]-3-(2-fluorophenyl)prop-2-enylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C42H46F2N4O8
MOLECULAR WEIGHT: 772.833446
SMILES: CN(CCON/C(=C/C=C1C=CC(=O)C=C1)/C2=CC=CC=C2F)C.CN(CCON/C(=C/C=C1C=CC(=O)C=C1)/C2=CC=CC=C2F)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 135304-07-3
CAS Name: (2R)-2-acetamido-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propanoic acid
OPENEYE Name: (2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C20H33NO3S
MOLECULAR WEIGHT: 367.54592
SMILES: CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)NC(=O)C)/C)/C)C
Structure:
CAS RN: 73179-96-1
CAS Name: (11E,13E,15E,17E)-8-hydroxyeicosa-11,13,15,17-tetraenoic acid
OPENEYE Name: (11E,13E,15E,17E)-8-hydroxyicosa-11,13,15,17-tetraenoic acid
IUPAC Name: (11E,13E,15E,17E)-8-hydroxyicosa-11,13,15,17-tetraenoic acid
SYSTEMATIC NAME: (11E,13E,15E,17E)-8-oxidanylicosa-11,13,15,17-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CC/C=C/C=C/C=C/C=C/CCC(CCCCCCC(=O)O)O
Structure:
CAS RN: 52340-48-4
CAS Name: (2Z,5Z)-3-methoxy-5-(2-pyrrolylidene)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
OPENEYE Name: (2Z,5Z)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrole
IUPAC Name: (2Z,5Z)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
SYSTEMATIC NAME: (2Z,5Z)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
MOLECULAR FORMULA: C25H35N3O
MOLECULAR WEIGHT: 393.5649
SMILES: CCCCCCCCCCCC1=CC=C(N1)/C=C\2/C(=C/C(=C/3\C=CC=N3)/N2)OC
Structure:
CAS RN: 74397-12-9
CAS Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-2-heptenoic acid
OPENEYE Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methyl-non-1-enyl]-5-oxo-cyclopentyl]hept-2-enoic acid
IUPAC Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid
SYSTEMATIC NAME: (E)-7-[(1R,2R,3R)-2-[(E,3S,5S)-5-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O
Structure:
CAS RN: 114868-74-5
CAS Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-2-heptenoic acid
OPENEYE Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methyl-non-1-enyl]-5-oxo-cyclopentyl]hept-2-enoic acid
IUPAC Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid
SYSTEMATIC NAME: (E)-7-[(1R,2R,3R)-2-[(E,3S,5S)-5-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O
Structure:
CAS RN: 114868-76-7
CAS Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-2-heptenoic acid
OPENEYE Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methyl-non-1-enyl]-5-oxo-cyclopentyl]hept-2-enoic acid
IUPAC Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid
SYSTEMATIC NAME: (E)-7-[(1R,2R,3R)-2-[(E,3S,5S)-5-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O
Structure:
CAS RN: 85679-52-3
CAS Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-2-heptenoic acid
OPENEYE Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methyl-non-1-enyl]-5-oxo-cyclopentyl]hept-2-enoic acid
IUPAC Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid
SYSTEMATIC NAME: (E)-7-[(1R,2R,3R)-2-[(E,3S,5S)-5-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O
Structure:
CAS RN: 99965-37-4
CAS Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-2-heptenoic acid
OPENEYE Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methyl-non-1-enyl]-5-oxo-cyclopentyl]hept-2-enoic acid
IUPAC Name: (E)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid
SYSTEMATIC NAME: (E)-7-[(1R,2R,3R)-2-[(E,3S,5S)-5-methyl-3-oxidanyl-non-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-2-enoic acid
MOLECULAR FORMULA: C22H36O5
MOLECULAR WEIGHT: 380.51824
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O
Structure:
CAS RN: 55722-25-3
CAS Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] [(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate
OPENEYE Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] [(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate
IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] [(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] [(3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C26H41O9P
MOLECULAR WEIGHT: 528.572101
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COP(=O)(O)OC2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C)/C
Structure:
CAS RN: 75645-22-6
CAS Name: 2-amino-3-[2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-5-yl]propanoate
OPENEYE Name: 2-amino-3-[2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-1H-imidazol-5-yl]propanoate
IUPAC Name: 2-amino-3-[2-[4-amino-4-oxo-3-(trimethylazaniumyl)butyl]-1H-imidazol-5-yl]propanoate
SYSTEMATIC NAME: 2-azanyl-3-[2-[4-azanyl-4-oxidanylidene-3-(trimethylazaniumyl)butyl]-1H-imidazol-5-yl]propanoate
MOLECULAR FORMULA: C13H23N5O3
MOLECULAR WEIGHT: 297.35342
SMILES: C[N+](C)(C)C(CCC1=NC=C(N1)CC(C(=O)[O-])N)C(=O)N
Structure:
CAS RN: 117332-69-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H33ClN2O7S
MOLECULAR WEIGHT: 601.11022
SMILES: CS(=O)(=O)O.C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)NC(=O)/C=C/C7=CC=C(C=C7)Cl
Structure:
CAS RN: 68000-92-0
CAS Name: (2R)-2-amino-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C18H31NO2S
MOLECULAR WEIGHT: 325.50924
SMILES: CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)N)/C)/C)C
Structure:
CAS RN: 87727-68-2
CAS Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-[(Z)-2-iodoethenyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(Z)-2-iodovinyl]pyrimidine-2,4-dione
IUPAC Name: 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(Z)-2-iodoethenyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[(Z)-2-iodanylethenyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H13IN2O5
MOLECULAR WEIGHT: 380.13579
SMILES: C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)/C=C\I)CO)O
Structure:
CAS RN: 73647-73-1
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid methyl ester
OPENEYE Name: methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-vinyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate
IUPAC Name: methyl (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C23H36O5
MOLECULAR WEIGHT: 392.52894
SMILES: CCCCC(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O)(C=C)O
Structure:
CAS RN: 73621-92-8
CAS Name: (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid methyl ester
OPENEYE Name: methyl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-vinyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate
IUPAC Name: methyl (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (Z)-7-[(1R,2R,3R)-2-[(E)-4-ethenyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C23H36O5
MOLECULAR WEIGHT: 392.52894
SMILES: CCCCC(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O)(C=C)O
Structure:
CAS RN: 6931-56-2
CAS Name: [2-[(5Z,8Z,11Z,14Z)-1-oxoeicosa-5,8,11,14-tetraenoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H80NO8P
MOLECULAR WEIGHT: 782.081661
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Structure:
CAS RN: 81203-50-1
CAS Name: (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyl-2-oxolanone
OPENEYE Name: (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyl-tetrahydrofuran-2-one
IUPAC Name: (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one
SYSTEMATIC NAME: (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-3-oxidanyl-oxolan-2-one
MOLECULAR FORMULA: C27H40O5
MOLECULAR WEIGHT: 444.6035
SMILES: C[C@H](C[C@H]1C[C@@](C(=O)O1)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
Structure:
CAS RN: 74158-09-1
CAS Name: (E)-7-(4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl)-5-heptenoic acid
OPENEYE Name: (E)-7-(4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl)hept-5-enoic acid
IUPAC Name: (E)-7-(4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl)hept-5-enoic acid
SYSTEMATIC NAME: (E)-7-[4-butyl-2,5-bis(oxidanylidene)-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCCC1C2CC(=O)C(C2CCC1=O)C/C=C/CCCC(=O)O
Structure:
CAS RN: 73543-47-2
CAS Name: (Z)-7-[(3S,4R)-3-[(E,3R)-3-hydroxyoct-1-enyl]-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(2R,3S)-3-[(E,3R)-3-hydroxyoct-1-enyl]norpinan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(3S,4R)-3-[(E,3R)-3-hydroxyoct-1-enyl]-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(3S,4R)-3-[(E,3R)-3-oxidanyloct-1-enyl]-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C22H36O3
MOLECULAR WEIGHT: 348.51944
SMILES: CCCCC[C@H](/C=C/[C@@H]1CC2CC(C2)[C@H]1C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 72520-05-9
CAS Name: 5-[5-hydroxy-4-[(E)-3-hydroxy-3-(4-propylcyclohexyl)prop-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoic acid methyl ester
OPENEYE Name: methyl 5-[5-hydroxy-4-[(E)-3-hydroxy-3-(4-propylcyclohexyl)prop-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoate
IUPAC Name: methyl 5-[5-hydroxy-4-[(E)-3-hydroxy-3-(4-propylcyclohexyl)prop-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoate
SYSTEMATIC NAME: methyl 5-[5-oxidanyl-4-[(E)-3-oxidanyl-3-(4-propylcyclohexyl)prop-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoate
MOLECULAR FORMULA: C25H41NO4
MOLECULAR WEIGHT: 419.59734
SMILES: CCCC1CCC(CC1)C(/C=C/C2C(CC3C2CC(=N3)CCCCC(=O)OC)O)O
Structure:
CAS RN: 79821-50-4
CAS Name: (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid
OPENEYE Name: (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid
IUPAC Name: (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid
SYSTEMATIC NAME: (5Z)-5-[(3aR,4R,5R,6aS)-5-oxidanyl-3-oxidanylidene-4-[(E,3S)-3-oxidanyloct-1-enyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid
MOLECULAR FORMULA: C20H30O6
MOLECULAR WEIGHT: 366.4486
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C(=O)/C(=C/CCCC(=O)O)/O2)O)O
Structure:
CAS RN: 73505-32-5
CAS Name: (3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (3S,10R,13R,17R)-17-(1,5-dimethylhexyl)-10,13-dimethyl-3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C45H78O
MOLECULAR WEIGHT: 635.10022
SMILES: CCCCC/C=C\C/C=C\CCCCCCCCO[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CC=C2C1)C(C)CCCC(C)C)C)C
Structure:
CAS RN: 156223-05-1
CAS Name: 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine dihydrochloride
OPENEYE Name: 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylene]-3,4-dihydro-2H-pyridin-6-yl]pyridine dihydrochloride
IUPAC Name: 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine dihydrochloride
SYSTEMATIC NAME: 3-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine dihydrochloride
MOLECULAR FORMULA: C19H22Cl2N2O2
MOLECULAR WEIGHT: 381.29618
SMILES: COC1=CC(=C(C=C1)/C=C/2\CCCN=C2C3=CN=CC=C3)OC.Cl.Cl
Structure:
CAS RN: 149732-62-7
CAS Name: 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[[6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-2-[(E)-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-5-benzofuranyl]oxy]ethoxy]-4-methylanilino]acetic acid acetyloxymethyl ester
OPENEYE Name: acetoxymethyl 2-[N-[2-(acetoxymethoxy)-2-oxo-ethyl]-2-[2-[6-[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]-2-[(E)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]benzofuran-5-yl]oxyethoxy]-4-methyl-anilino]acetate
IUPAC Name: acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[[6-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-2-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1-benzofuran-5-yl]oxy]ethoxy]-4-methylanilino]acetate
SYSTEMATIC NAME: acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]-[2-[2-[[6-[bis[2-(acetyloxymethoxy)-2-oxidanylidene-ethyl]amino]-2-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]-1-benzofuran-5-yl]oxy]ethoxy]-4-methyl-phenyl]amino]eth
MOLECULAR FORMULA: C41H44N4O20S
MOLECULAR WEIGHT: 944.86786
SMILES: CC1=CC(=C(C=C1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC2=C(C=C3C(=C2)C=C(O3)/C=C/4\C(=O)NC(=S)N4)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
Structure:
CAS RN: 6931-84-6
CAS Name: [3-(1-oxohexadecoxy)-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C42H80NO8P
MOLECULAR WEIGHT: 758.060261
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Structure:
CAS RN: 134578-96-4
CAS Name: 5-[2-(2-carboxyethyl)-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenoxy]pentanoic acid
OPENEYE Name: 5-[2-(2-carboxyethyl)-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenoxy]pentanoic acid
IUPAC Name: 5-[2-(2-carboxyethyl)-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenoxy]pentanoic acid
SYSTEMATIC NAME: 5-[2-(3-hydroxy-3-oxopropyl)-3-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenoxy]pentanoic acid
MOLECULAR FORMULA: C27H34O7
MOLECULAR WEIGHT: 470.55466
SMILES: COC1=CC=C(C=C1)/C=C/CCCCOC2=C(C(=CC=C2)OCCCCC(=O)O)CCC(=O)O
Structure:
CAS RN: 111755-37-4
CAS Name: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dic
OPENEYE Name: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis(3-guanidinopropyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-d
SYSTEMATIC NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-[bis(azanyl)methylideneamino]propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacycl
MOLECULAR FORMULA: C49H75N13O12
MOLECULAR WEIGHT: 1038.1997
SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CCCN=C(N)N)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
Structure:
CAS RN: 157351-81-0
CAS Name: (5S,8S,11S,12Z)-5-amino-N-[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-1,4-dioxobutan-2-yl]-8-(2-methylpropyl)-6,9-dioxo-1-thia-3,7,10-triazacyclotridec-12-ene-11-carboxamide
OPENEYE Name: (5S,8S,11S,12Z)-5-amino-N-[(1S)-1-[[(1S)-2-[[(1S)-1-benzyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]-8-isobutyl-6,9-dioxo-1-thia-3,7,10-triazacyclotridec-12-ene-11-carboxamide
IUPAC Name: (5S,8S,11S,12Z)-5-amino-N-[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-1,4-dioxobutan-2-yl]-8-(2-methylpropyl)-6,9-dioxo-1-thia-3,7,10-triazacyclotridec-12-ene-11-carboxamide
SYSTEMATIC NAME: (5S,8S,11S,12Z)-5-azanyl-N-[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]-8-(2-methylpropyl)-6,9-bis(oxidanylidene)-1-thia-3,7,10-triazacyclotridec-
MOLECULAR FORMULA: C38H48N8O7S
MOLECULAR WEIGHT: 760.90212
SMILES: CC(C)C[C@H]1C(=O)N[C@@H](/C=C\SCNC[C@@H](C(=O)N1)N)C(=O)N[C@@H](CC=O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=CC=C4)C=O
Structure:
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