CAS RN: 96053-96-2
CAS Name: 3-hydroxy-2-[[2-[[15-methyl-3-[(E)-13-methyl-1-oxotetradec-4-enoxy]-1-oxohexadecyl]amino]-1-oxoethyl]amino]propanoic acid
OPENEYE Name: 3-hydroxy-2-[[2-[[15-methyl-3-[(E)-13-methyltetradec-4-enoyl]oxy-hexadecanoyl]amino]acetyl]amino]propanoic acid
IUPAC Name: 3-hydroxy-2-[[2-[[15-methyl-3-[(E)-13-methyltetradec-4-enoyl]oxyhexadecanoyl]amino]acetyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[2-[[15-methyl-3-[(E)-13-methyltetradec-4-enoyl]oxy-hexadecanoyl]amino]ethanoylamino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C37H68N2O7
MOLECULAR WEIGHT: 652.94502
SMILES: CC(C)CCCCCCCCCCCC(CC(=O)NCC(=O)NC(CO)C(=O)O)OC(=O)CC/C=C/CCCCCCCC(C)C
Structure:
CAS RN: 95978-55-5
CAS Name: (E)-19-iodo-18-nonadecenoic acid
OPENEYE Name: (E)-19-iodononadec-18-enoic acid
IUPAC Name: (E)-19-iodononadec-18-enoic acid
SYSTEMATIC NAME: (E)-19-iodanylnonadec-18-enoic acid
MOLECULAR FORMULA: C19H35IO2
MOLECULAR WEIGHT: 422.38447
SMILES: C(CCCCCCCCC(=O)O)CCCCCCC/C=C/I
Structure:
CAS RN: 95826-03-2
CAS Name: (3Z)-3-[(2Z)-2-[1-(4,4-difluoro-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
OPENEYE Name: (3Z)-3-[(2Z)-2-[1-(3,3-difluoro-5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
IUPAC Name: (3Z)-3-[(2Z)-2-[1-(4,4-difluoro-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (3Z)-3-[(2Z)-2-[1-[4,4-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C27H42F2O2
MOLECULAR WEIGHT: 436.617986
SMILES: CC(CC(CC(C)(C)O)(F)F)C1CCC\2C1(CCC/C2=C/C=C\3/CC(CCC3=C)O)C
Structure:
CAS RN: 95755-29-6
CAS Name: (2S)-2-[[[(Z)-1-methoxy-4-methyl-1-oxopent-2-en-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-[[(Z)-1-methoxycarbonyl-3-methyl-but-1-enyl]carbamoyl]pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-[[(Z)-1-methoxy-4-methyl-1-oxopent-2-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-[[(Z)-1-methoxy-4-methyl-1-oxidanylidene-pent-2-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C17H28N2O5
MOLECULAR WEIGHT: 340.41462
SMILES: CC(C)/C=C(/C(=O)OC)\NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
Structure:
CAS RN: 70424-15-6
CAS Name: 2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenylidene]-5,5-dimethylcyclohexane-1,3-dione
OPENEYE Name: 2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-5,5-dimethyl-cyclohexane-1,3-dione
IUPAC Name: 2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-5,5-dimethylcyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-5,5-dimethyl-cyclohexane-1,3-dione
MOLECULAR FORMULA: C28H38O2
MOLECULAR WEIGHT: 406.60012
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C2C(=O)CC(CC2=O)(C)C)/C)/C
Structure:
CAS RN: 133697-07-1
CAS Name: (2Z,4E,6Z,8E)-9-[3-(2-hydroxyethoxy)-2,6,6-trimethyl-1-cyclohexenyl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4E,6Z,8E)-9-[3-(2-hydroxyethoxy)-2,6,6-trimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4E,6Z,8E)-9-[3-(2-hydroxyethoxy)-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-9-[3-(2-hydroxyethyloxy)-2,6,6-trimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C22H32O4
MOLECULAR WEIGHT: 360.48708
SMILES: CC1=C(C(CCC1OCCO)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)O)\C)/C
Structure:
CAS RN: 69807-62-1
CAS Name: (E)-3-(1-naphthalenylamino)-1-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-(1-naphthylamino)-1-phenyl-prop-2-en-1-one
IUPAC Name: (E)-3-(naphthalen-1-ylamino)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(naphthalen-1-ylamino)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C19H15NO
MOLECULAR WEIGHT: 273.3285
SMILES: C1=CC=C(C=C1)C(=O)/C=C/NC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 71154-83-1
CAS Name: (Z)-7-[(1S,4R,5S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1S,2R,5S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-6,6-dimethyl-norpinan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1S,4R,5S)-3-[(E,3R)-3-hydroxyoct-1-enyl]-6,6-dimethyl-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1S,4R,5S)-6,6-dimethyl-3-[(E,3R)-3-oxidanyloct-1-enyl]-4-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C24H40O3
MOLECULAR WEIGHT: 376.5726
SMILES: CCCCC[C@H](/C=C/C1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)C2(C)C)O
Structure:
CAS RN: 69423-71-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H38O12
MOLECULAR WEIGHT: 602.62622
SMILES: C/C=C(\C)/C(=O)O[C@@H]1[C@H]2C(=CC(=O)[C@H]([C@@]2(C3C(=O)[C@@H]([C@@H]([C@H]4[C@@]3(C1OC(=O)C4)COC(=O)C)C)OC(=O)C)C)OC(=O)C)C
Structure:
CAS RN: 70614-14-1
CAS Name: (2S)-2-amino-3-[[(2R)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
OPENEYE Name: (2S)-2-amino-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxy-phosphoryl]oxy-propanoic acid
IUPAC Name: (2S)-2-amino-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid
MOLECULAR FORMULA: C42H78NO10P
MOLECULAR WEIGHT: 788.043181
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 95722-34-2
CAS Name: (5E,7E,9E)-10-[(2S,3S)-3-[(E)-oct-2-enyl]-2-oxiranyl]deca-5,7,9-trienoic acid
OPENEYE Name: (5E,7E,9E)-10-[(2S,3S)-3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,7,9-trienoic acid
IUPAC Name: (5E,7E,9E)-10-[(2S,3S)-3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,7,9-trienoic acid
SYSTEMATIC NAME: (5E,7E,9E)-10-[(2S,3S)-3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,7,9-trienoic acid
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: CCCCC/C=C/C[C@H]1[C@@H](O1)/C=C/C=C/C=C/CCCC(=O)O
Structure:
CAS RN: 68676-88-0
CAS Name: (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-N-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hepta-2,4-dienamide
OPENEYE Name: (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hepta-2,4-dienamide
IUPAC Name: (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhepta-2,4-dienamide
SYSTEMATIC NAME: (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-dimethyl-7-oxidanylidene-hepta-2,4-dienamide
MOLECULAR FORMULA: C23H32N2O8
MOLECULAR WEIGHT: 464.50878
SMILES: C[C@H](/C=C(\C)/C=C/C(=O)NO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)C2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 91920-88-6
CAS Name: 2-[5-methyl-6-[(10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]-2-oxanyl]propanoic acid
OPENEYE Name: 2-[5-methyl-6-[(9E,13E)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-octadeca-9,13-dienyl]tetrahydropyran-2-yl]propanoic acid
IUPAC Name: 2-[5-methyl-6-[(10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]oxan-2-yl]propanoic acid
SYSTEMATIC NAME: 2-[5-methyl-6-[(10E,14E)-4,6,12,14,16-pentamethyl-3,5,7,13-tetrakis(oxidanyl)nonadeca-10,14-dien-2-yl]oxan-2-yl]propanoic acid
MOLECULAR FORMULA: C33H60O7
MOLECULAR WEIGHT: 568.8253
SMILES: CCCC(C)/C=C(\C)/C(C(C)/C=C/CCC(C(C)C(C(C)C(C(C)C1C(CCC(O1)C(C)C(=O)O)C)O)O)O)O
Structure:
CAS RN: 95673-10-2
CAS Name: 2-[5-methyl-6-[(10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]-2-oxanyl]propanoic acid
OPENEYE Name: 2-[5-methyl-6-[(9E,13E)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-octadeca-9,13-dienyl]tetrahydropyran-2-yl]propanoic acid
IUPAC Name: 2-[5-methyl-6-[(10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]oxan-2-yl]propanoic acid
SYSTEMATIC NAME: 2-[5-methyl-6-[(10E,14E)-4,6,12,14,16-pentamethyl-3,5,7,13-tetrakis(oxidanyl)nonadeca-10,14-dien-2-yl]oxan-2-yl]propanoic acid
MOLECULAR FORMULA: C33H60O7
MOLECULAR WEIGHT: 568.8253
SMILES: CCCC(C)/C=C(\C)/C(C(C)/C=C/CCC(C(C)C(C(C)C(C(C)C1C(CCC(O1)C(C)C(=O)O)C)O)O)O)O
Structure:
CAS RN: 68373-96-6
CAS Name: (E)-3-(4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N-methyl-2-propenamide
OPENEYE Name: (E)-3-(4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N-methyl-prop-2-enamide
IUPAC Name: (E)-3-(4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)-N-methylprop-2-enamide
SYSTEMATIC NAME: (E)-N-methyl-3-[3-methyl-4,6-bis(oxidanyl)-11-oxidanylidene-5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
MOLECULAR FORMULA: C17H19N3O4
MOLECULAR WEIGHT: 329.35046
SMILES: CC1=C(C2=C(C=C1)C(=O)N3CC(=CC3C(N2)O)/C=C/C(=O)NC)O
Structure:
CAS RN: 68200-23-7
CAS Name: (2E,4E,6Z,8E)-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal
OPENEYE Name: (2E,4E,6Z,8E)-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
IUPAC Name: (2E,4E,6Z,8E)-2-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2E,4E,6Z,8E)-2-fluoranyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C20H27FO
MOLECULAR WEIGHT: 302.426183
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C(/C=O)\F)\C)/C
Structure:
CAS RN: 67030-67-5
CAS Name: (9Z,12Z)-13-hydroxyoctadeca-9,12-dienoic acid
OPENEYE Name: (9Z,12Z)-13-hydroxyoctadeca-9,12-dienoic acid
IUPAC Name: (9Z,12Z)-13-hydroxyoctadeca-9,12-dienoic acid
SYSTEMATIC NAME: (9Z,12Z)-13-oxidanyloctadeca-9,12-dienoic acid
MOLECULAR FORMULA: C18H32O3
MOLECULAR WEIGHT: 296.44488
SMILES: CCCCC/C(=C/C/C=C\CCCCCCCC(=O)O)/O
Structure:
CAS RN: 66753-47-7
CAS Name: (6E)-2,5-diamino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanylidene]hexanoic acid
OPENEYE Name: (6E)-2,5-diamino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-ylidene]hexanoic acid
IUPAC Name: (6E)-2,5-diamino-6-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-ylidene]hexanoic acid
SYSTEMATIC NAME: (6E)-6-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-ylidene]-2,5-bis(azanyl)hexanoic acid
MOLECULAR FORMULA: C15H21N7O5
MOLECULAR WEIGHT: 379.37114
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(/C(=C\C(CCC(C(=O)O)N)N)/O3)O)O
Structure:
CAS RN: 66656-91-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H36O9
MOLECULAR WEIGHT: 492.55864
SMILES: C/C/1=C\CC(/C(=C\CC(C2(C(O2)C3C(C(C1)OC(=O)C)C(=C)C(O3)O)C)OC(=O)C)/C)OC(=O)C
Structure:
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