CAS RN: 73522-76-6
CAS Name: (E,2S,4R,8S)-8-[(3S,5R,6R,7R,9S)-3-[(1S,3R,6R,9R)-3-[(2S,3S,5S,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[[(2R,5S,6R)-5-methoxy-6-methyl-2-oxanyl]oxy]-3,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]
OPENEYE Name: (E,2S,4R,8S)-8-[(3S,5R,6R,7R,9S)-3-[(1S,3R,6R,9R)-3-[(2S,3S,5S,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-3,6-dimethyl-4,10-diox
IUPAC Name: (E,2S,4R,8S)-8-[(3S,5R,6R,7R,9S)-3-[(1S,3R,6R,9R)-3-[(2S,3S,5S,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2
SYSTEMATIC NAME: (E,2S,4R,8S)-8-[(3S,5R,6R,7R,9S)-3-[(1S,3R,6R,9R)-3-[(2S,3S,5S,6R)-6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-3,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl
MOLECULAR FORMULA: C47H78O13
MOLECULAR WEIGHT: 851.11442
SMILES: C[C@@H]1CC[C@@H](OC12[C@H](C[C@@H](O2)[C@@H]3[C@H](C[C@@H]([C@@](O3)(CO)O)C)C)C)[C@@]4(CC[C@@]5(O4)[C@@H]([C@@H](C[C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@H]6CC[C@@H]([C@H](O6)C)OC)C)C
Structure:
CAS RN: 73243-34-2
CAS Name: (E,4S)-4-amino-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)-1-oxoethyl]amino]-3-formyl-1-[[2-(methylamino)-1-oxoethyl]amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)-1-oxoethyl]amino]-1-oxoethyl]amino]-5-oxo-6,7-bis(phenylmethyl)-7-pentadecenoic acid
OPENEYE Name: (E,4S)-4-amino-6,7-dibenzyl-6-[[(1S,3S)-5-carboxy-3-[[2-(decylamino)acetyl]amino]-1-formyl-1-[2-[[2-(methylamino)acetyl]amino]acetyl]-2-oxo-pentyl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxo-pentadec-7-enoic acid
IUPAC Name: (E,4S)-4-amino-6,7-dibenzyl-6-[[(3S,5S)-7-carboxy-5-[[2-(decylamino)acetyl]amino]-3-formyl-1-[[2-(methylamino)acetyl]amino]-2,4-dioxoheptan-3-yl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-5-oxopentadec-7-enoic acid
SYSTEMATIC NAME: (E,4S)-4-azanyl-6-[[(3S,5S)-5-[2-(decylamino)ethanoylamino]-3-methanoyl-1-[2-(methylamino)ethanoylamino]-8-oxidanyl-2,4,8-tris(oxidanylidene)octan-3-yl]-[2-[2-(methylamino)ethanoylamino]ethanoyl]amino]-5-oxidanylidene-6,7-bis(phenylmethyl)pentadec-7-enoic
MOLECULAR FORMULA: C58H88N8O12
MOLECULAR WEIGHT: 1089.36572
SMILES: CCCCCCCCCCNCC(=O)N[C@@H](CCC(=O)O)C(=O)[C@](C=O)(C(=O)CNC(=O)CNC)N(C(=O)CNC(=O)CNC)C(CC1=CC=CC=C1)(/C(=C/CCCCCCC)/CC2=CC=CC=C2)C(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 73151-69-6
CAS Name: (Z)-7-[(1R,2S,3R,5R)-3-[(E,3S)-3-hydroperoxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2S,3R,5R)-3-[(E,3S)-3-hydroperoxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2S,3R,5R)-3-[(E,3S)-3-hydroperoxyoct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2S,3R,5R)-3-[(E,3S)-3-(dioxidanyl)oct-1-enyl]-4,6-dioxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H32O6
MOLECULAR WEIGHT: 368.46448
SMILES: CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H]2C[C@H](O2)O1)C/C=C\CCCC(=O)O)OO
Structure:
CAS RN: 72962-53-9
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,1R)-1,4,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C28H46O
MOLECULAR WEIGHT: 398.66424
SMILES: C[C@H](C/C=C(/C)\C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 72826-67-6
CAS Name: (9Z,12Z)-N-(1,3-dihydroxypropan-2-yl)octadeca-9,12-dienamide
OPENEYE Name: (9Z,12Z)-N-[2-hydroxy-1-(hydroxymethyl)ethyl]octadeca-9,12-dienamide
IUPAC Name: (9Z,12Z)-N-(1,3-dihydroxypropan-2-yl)octadeca-9,12-dienamide
SYSTEMATIC NAME: (9Z,12Z)-N-[1,3-bis(oxidanyl)propan-2-yl]octadeca-9,12-dienamide
MOLECULAR FORMULA: C21H39NO3
MOLECULAR WEIGHT: 353.53926
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(CO)CO
Structure:
CAS RN: 72825-08-2
CAS Name: 1-(tert-butylamino)-3-[2-[(E)-2-(3-methyl-5-isoxazolyl)ethenyl]phenoxy]-2-propanol
OPENEYE Name: 1-(tert-butylamino)-3-[2-[(E)-2-(3-methylisoxazol-5-yl)vinyl]phenoxy]propan-2-ol
IUPAC Name: 1-(tert-butylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-(tert-butylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
MOLECULAR FORMULA: C19H26N2O3
MOLECULAR WEIGHT: 330.42134
SMILES: CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCC(CNC(C)(C)C)O
Structure:
CAS RN: 75949-60-9
CAS Name: 1-(tert-butylamino)-3-[2-[(E)-2-(3-methyl-5-isoxazolyl)ethenyl]phenoxy]-2-propanol
OPENEYE Name: 1-(tert-butylamino)-3-[2-[(E)-2-(3-methylisoxazol-5-yl)vinyl]phenoxy]propan-2-ol
IUPAC Name: 1-(tert-butylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-(tert-butylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
MOLECULAR FORMULA: C19H26N2O3
MOLECULAR WEIGHT: 330.42134
SMILES: CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCC(CNC(C)(C)C)O
Structure:
CAS RN: 72657-07-9
CAS Name: 4-[(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]butanoic acid
OPENEYE Name: 4-[(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(E,3R)-3-hydroxy-4-phenoxy-but-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]butanoic acid
IUPAC Name: 4-[(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]butanoic acid
SYSTEMATIC NAME: 4-[(2R,4aR,5R,6R,7aS)-6-oxidanyl-5-[(E,3R)-3-oxidanyl-4-phenoxy-but-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]butanoic acid
MOLECULAR FORMULA: C22H30O6
MOLECULAR WEIGHT: 390.47
SMILES: C1C[C@H]2[C@H](C[C@H]([C@@H]2/C=C/[C@H](COC3=CC=CC=C3)O)O)O[C@@H]1CCCC(=O)O
Structure:
CAS RN: 72467-67-5
CAS Name: (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
MOLECULAR FORMULA: C45H72O2
MOLECULAR WEIGHT: 645.05198
SMILES: CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Structure:
CAS RN: 72428-95-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H46N2O12S
MOLECULAR WEIGHT: 766.85374
SMILES: CC1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2SC(=O)C=N5)O)/C
Structure:
CAS RN: 72250-35-2
CAS Name: (2S)-2-[(E)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-pyrrolyl)-1-oxoprop-2-enoxy]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[(E)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)prop-2-enoyl]oxy-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[(E)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)prop-2-enoyl]oxy-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[(E)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)prop-2-enoyl]oxy-3-phenyl-propanoic acid
MOLECULAR FORMULA: C20H24NO5
MOLECULAR WEIGHT: 358.40826
SMILES: CC1(C=C(C(N1[O])(C)C)/C=C/C(=O)O[C@@H](CC2=CC=CC=C2)C(=O)O)C
Structure:
CAS RN: 72200-46-5
CAS Name: 1-[(2E,5Z)-6-(2,5-dioxo-1-pyrrolidinyl)-6-hydroxy-1,4-dioxohexa-2,5-dienyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[(2E,5Z)-6-(2,5-dioxopyrrolidin-1-yl)-6-hydroxy-4-oxo-hexa-2,5-dienoyl]pyrrolidine-2,5-dione
IUPAC Name: 1-[(2E,5Z)-6-(2,5-dioxopyrrolidin-1-yl)-6-hydroxy-4-oxohexa-2,5-dienoyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[(2E,5Z)-6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-6-oxidanyl-4-oxidanylidene-hexa-2,5-dienoyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C14H12N2O7
MOLECULAR WEIGHT: 320.25428
SMILES: C1CC(=O)N(C1=O)C(=O)/C=C/C(=O)/C=C(/N2C(=O)CCC2=O)\O
Structure:
CAS RN: 72165-46-9
CAS Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] hydrogen phosphate
OPENEYE Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] hydrogen phosphate
IUPAC Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] hydrogen phosphate
SYSTEMATIC NAME: [(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenyl] hydrogen phosphate
MOLECULAR FORMULA: C63H104NO9P
MOLECULAR WEIGHT: 1050.474921
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
Structure:
CAS RN: 71960-70-8
CAS Name: 3-[(4Z)-4-[(E,4Z)-4-(3-ethyl-4-oxo-2-sulfanylidene-5-oxazolidinylidene)but-2-enylidene]-1-quinolinyl]-1-propanesulfonic acid
OPENEYE Name: 3-[(4Z)-4-[(E,4Z)-4-(3-ethyl-4-oxo-2-thioxo-oxazolidin-5-ylidene)but-2-enylidene]-1-quinolyl]propane-1-sulfonic acid
IUPAC Name: 3-[(4Z)-4-[(E,4Z)-4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]propane-1-sulfonic acid
SYSTEMATIC NAME: 3-[(4Z)-4-[(E,4Z)-4-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-oxazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]propane-1-sulfonic acid
MOLECULAR FORMULA: C21H22N2O5S2
MOLECULAR WEIGHT: 446.53978
SMILES: CCN1C(=O)/C(=C/C=C/C=C\2/C=CN(C3=CC=CC=C23)CCCS(=O)(=O)O)/OC1=S
Structure:
CAS RN: 71806-22-9
CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(Z)-1-oxooctadec-9-enyl]amino]propanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-3-(1H-indol-3-yl)-2-[[(Z)-octadec-9-enoyl]amino]propanoate
IUPAC Name: ethyl (2S)-3-(1H-indol-3-yl)-2-[[(Z)-octadec-9-enoyl]amino]propanoate
SYSTEMATIC NAME: ethyl (2S)-3-(1H-indol-3-yl)-2-[[(Z)-octadec-9-enoyl]amino]propanoate
MOLECULAR FORMULA: C31H48N2O3
MOLECULAR WEIGHT: 496.72442
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC
Structure:
CAS RN: 71699-09-7
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-6-fluoro-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-5-fluoro-4-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-6-fluoro-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-6-fluoranyl-6-methyl-5-oxidanyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H43FO3
MOLECULAR WEIGHT: 434.626923
SMILES: C[C@H](CC[C@H](C(C)(C)F)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
Structure:
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