CAS RN: 157622-02-1
CAS Name: 15-(1H-indol-3-ylmethyl)-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
OPENEYE Name: 15-(1H-indol-3-ylmethyl)-8-isobutyl-18-[(1Z,3E)-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: 15-(1H-indol-3-ylmethyl)-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SYSTEMATIC NAME: 15-(1H-indol-3-ylmethyl)-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
MOLECULAR FORMULA: C54H72N8O12
MOLECULAR WEIGHT: 1025.19588
SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CNC3=CC=CC=C32)/C=C\C(=C\C(C)C(CC4=CC=CC=C4)OC)\C
Structure:
CAS RN: 157318-92-8
CAS Name: 2-[2-[(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetic acid
OPENEYE Name: 2-[2-[(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,5S)-3-hydroxy-5-methyl-non-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetic acid
IUPAC Name: 2-[2-[(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(2R,3aS,4R,5R,6aS)-4-[(E,3S,5S)-5-methyl-3-oxidanyl-non-1-enyl]-5-oxidanyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]ethanoic acid
MOLECULAR FORMULA: C22H38O5
MOLECULAR WEIGHT: 382.53412
SMILES: CCCC[C@H](C)C[C@@H](/C=C/[C@@H]1[C@H]2C[C@@H](C[C@H]2C[C@H]1O)CCOCC(=O)O)O
Structure:
CAS RN: 157172-92-4
CAS Name: 2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-[1-(methylthio)cyclopropyl]cyclohexane-1,3-dione
OPENEYE Name: 2-[1-[[(E)-3-chloroallyloxy]amino]propylidene]-5-(1-methylsulfanylcyclopropyl)cyclohexane-1,3-dione
IUPAC Name: 2-[1-[[(E)-3-chloroprop-2-enoxy]amino]propylidene]-5-(1-methylsulfanylcyclopropyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[1-[[(E)-3-chloranylprop-2-enoxy]amino]propylidene]-5-(1-methylsulfanylcyclopropyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C16H22ClNO3S
MOLECULAR WEIGHT: 343.86878
SMILES: CCC(=C1C(=O)CC(CC1=O)C2(CC2)SC)NOC/C=C/Cl
Structure:
CAS RN: 156680-27-2
CAS Name: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one; manganese(2+); N-[2-[[sulfanylidene(sulfido)methyl]amino]ethyl]carbamodithioate
OPENEYE Name: manganous; zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholino-prop-2-en-1-one; N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
IUPAC Name: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one; manganese(2+); N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SYSTEMATIC NAME: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-prop-2-en-1-one; manganese(2+); N-[2-(sulfanidylcarbothioylamino)ethyl]carbamodithioate
MOLECULAR FORMULA: C29H34ClMnN5O4S8Zn
MOLECULAR WEIGHT: 928.931409
SMILES: COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC.C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Mn+2].[Zn+2]
Structure:
CAS RN: 119793-38-3
CAS Name: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one; manganese(2+); N-[2-[[sulfanylidene(sulfido)methyl]amino]ethyl]carbamodithioate
OPENEYE Name: manganous; zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholino-prop-2-en-1-one; N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
IUPAC Name: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one; manganese(2+); N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SYSTEMATIC NAME: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-prop-2-en-1-one; manganese(2+); N-[2-(sulfanidylcarbothioylamino)ethyl]carbamodithioate
MOLECULAR FORMULA: C29H34ClMnN5O4S8Zn
MOLECULAR WEIGHT: 928.931409
SMILES: COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC.C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Mn+2].[Zn+2]
Structure:
CAS RN: 146610-79-9
CAS Name: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one; manganese(2+); N-[2-[[sulfanylidene(sulfido)methyl]amino]ethyl]carbamodithioate
OPENEYE Name: manganous; zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholino-prop-2-en-1-one; N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
IUPAC Name: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one; manganese(2+); N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SYSTEMATIC NAME: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-prop-2-en-1-one; manganese(2+); N-[2-(sulfanidylcarbothioylamino)ethyl]carbamodithioate
MOLECULAR FORMULA: C29H34ClMnN5O4S8Zn
MOLECULAR WEIGHT: 928.931409
SMILES: COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC.C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Mn+2].[Zn+2]
Structure:
CAS RN: 217631-12-4
CAS Name: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one; manganese(2+); N-[2-[[sulfanylidene(sulfido)methyl]amino]ethyl]carbamodithioate
OPENEYE Name: manganous; zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholino-prop-2-en-1-one; N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
IUPAC Name: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one; manganese(2+); N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SYSTEMATIC NAME: zinc; (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-yl-prop-2-en-1-one; manganese(2+); N-[2-(sulfanidylcarbothioylamino)ethyl]carbamodithioate
MOLECULAR FORMULA: C29H34ClMnN5O4S8Zn
MOLECULAR WEIGHT: 928.931409
SMILES: COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC.C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Mn+2].[Zn+2]
Structure:
CAS RN: 155326-45-7
CAS Name: (3Z,11Z)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
OPENEYE Name: (3Z,11Z)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
IUPAC Name: (3Z,11Z)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SYSTEMATIC NAME: (3Z,11Z)-8,16-dimethyl-5,13-bis(oxidanyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
MOLECULAR FORMULA: C16H24O6
MOLECULAR WEIGHT: 312.35816
SMILES: CC1OC(=O)/C=C\C(CCC(OC(=O)/C=C\C(CC1)O)C)O
Structure:
CAS RN: 154634-43-2
CAS Name: (Z)-7-[(1R,2S,3S,4R)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]-5-heptenoic acid methyl ester
OPENEYE Name: methyl (Z)-7-[(1R,2S,3S,4R)-3-(benzenesulfonamido)norbornan-2-yl]hept-5-enoate
IUPAC Name: methyl (Z)-7-[(1R,2S,3S,4R)-3-(benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]hept-5-enoate
SYSTEMATIC NAME: methyl (Z)-7-[(1R,2S,3S,4R)-3-(phenylsulfonylamino)-2-bicyclo[2.2.1]heptanyl]hept-5-enoate
MOLECULAR FORMULA: C21H29NO4S
MOLECULAR WEIGHT: 391.52426
SMILES: COC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](C2)[C@@H]1NS(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 154037-70-4
CAS Name: 18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-15-(phenylmethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
OPENEYE Name: 15-benzyl-8-isobutyl-18-[(1E,3E)-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: 15-benzyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SYSTEMATIC NAME: 18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-15-(phenylmethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
MOLECULAR FORMULA: C52H71N7O12
MOLECULAR WEIGHT: 986.15984
SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=CC=C2)/C=C/C(=C/C(C)C(CC3=CC=CC=C3)OC)/C
Structure:
CAS RN: 153379-85-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24O6
MOLECULAR WEIGHT: 348.39026
SMILES: CC(=C)[C@H]1C/C=C\2/[C@H](C(C[C@]3(CC(=O)[C@@H](O3)CC(=O)C1)C)OC2=O)O
Structure:
CAS RN: 152469-17-5
CAS Name: acetic acid [(2S)-2-[(1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-4,8,12,15-tetramethyl-16-oxo-18-bicyclo[13.3.0]octadeca-3,8,12,17-tetraenyl]propyl] ester
OPENEYE Name: [(2S)-2-[(1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-4,8,12,15-tetramethyl-16-oxo-18-bicyclo[13.3.0]octadeca-3,8,12,17-tetraenyl]propyl] acetate
IUPAC Name: [(2S)-2-[(1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-4,8,12,15-tetramethyl-16-oxo-18-bicyclo[13.3.0]octadeca-3,8,12,17-tetraenyl]propyl] acetate
SYSTEMATIC NAME: [(2S)-2-[(1R,3Z,5S,8Z,12Z,15S)-4,8,12,15-tetramethyl-5,17-bis(oxidanyl)-16-oxidanylidene-18-bicyclo[13.3.0]octadeca-3,8,12,17-tetraenyl]propyl] ethanoate
MOLECULAR FORMULA: C27H40O5
MOLECULAR WEIGHT: 444.6035
SMILES: C/C/1=C/CC/C(=C\C[C@]2([C@H](C/C=C(\[C@H](CC1)O)/C)C(=C(C2=O)O)[C@H](C)COC(=O)C)C)/C
Structure:
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