CAS RN: 131404-69-8
CAS Name: (2R)-2-amino-3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C23H39NO2S
MOLECULAR WEIGHT: 393.62626
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)N)/C)/C)/C)C
Structure:
CAS RN: 131339-23-6
CAS Name: (5E,8E,11E,14E)-16-(3-ethyl-2-oxiranyl)hexadeca-5,8,11,14-tetraenoic acid
OPENEYE Name: (5E,8E,11E,14E)-16-(3-ethyloxiran-2-yl)hexadeca-5,8,11,14-tetraenoic acid
IUPAC Name: (5E,8E,11E,14E)-16-(3-ethyloxiran-2-yl)hexadeca-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,11E,14E)-16-(3-ethyloxiran-2-yl)hexadeca-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: CCC1C(O1)C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
Structure:
CAS RN: 131235-28-4
CAS Name: (E)-9-octadecenoic acid [(2R)-3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-hydroxyphosphoryl]oxy-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [(2R)-3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-hydroxy-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
IUPAC Name: [(2R)-3-[[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [(2R)-3-[[2-azanyl-2-(hydroxymethyl)-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C43H82NO10P
MOLECULAR WEIGHT: 804.085641
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(CO)(CO)N)OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 131074-64-1
CAS Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2-amino-2-carboxyethyl)thio]-20,20,20-trifluoro-5-hydroxyeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z,14Z)-6-(2-amino-2-carboxy-ethyl)sulfanyl-20,20,20-trifluoro-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-(2-amino-2-carboxyethyl)sulfanyl-20,20,20-trifluoro-5-hydroxyicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,14Z)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-20,20,20-tris(fluoranyl)-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C23H34F3NO5S
MOLECULAR WEIGHT: 493.57997
SMILES: C(CCC(F)(F)F)C/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)O)N
Structure:
CAS RN: 130964-32-8
CAS Name: N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-N-[2-(5-isoquinolinylsulfonylamino)ethyl]formamide
OPENEYE Name: N-[(E)-3-(4-chlorophenyl)allyl]-N-[2-(5-isoquinolylsulfonylamino)ethyl]formamide
IUPAC Name: N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]formamide
SYSTEMATIC NAME: N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]methanamide
MOLECULAR FORMULA: C21H20ClN3O3S
MOLECULAR WEIGHT: 429.9198
SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN(C/C=C/C3=CC=C(C=C3)Cl)C=O
Structure:
CAS RN: 130756-15-9
CAS Name: 4-[[3-benzoyl-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)-1-cyclohexa-2,4-dienone
OPENEYE Name: 4-[[3-benzoyl-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
IUPAC Name: 4-[[3-benzoyl-5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4-[[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-tris(oxidanyl)-5-(phenylcarbonyl)phenyl]methyl]-6,6-dimethyl-2-(2-methylpropanoyl)-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C36H42O8
MOLECULAR WEIGHT: 602.71388
SMILES: CC(C)C(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C(C(=C2O)C(=O)C3=CC=CC=C3)O)C/C=C(\C)/CCC=C(C)C)O)O
Structure:
CAS RN: 130743-09-8
CAS Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-9-methyldeca-2,4-dienamide
OPENEYE Name: (2E,4E)-N-[(1S,2R)-2-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]-9-methyl-deca-2,4-dienamide
IUPAC Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-9-methyldeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-9-methyl-N-[(2S,3R)-1-[[(3Z,5S,8S,10S)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]deca-2,4-dienamide
MOLECULAR FORMULA: C26H42N4O6
MOLECULAR WEIGHT: 506.63488
SMILES: C[C@H]1/C=C\C(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)/C=C/C=C/CCCC(C)C)O
Structure:
CAS RN: 130743-08-7
CAS Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-11-methyldodeca-2,4-dienamide
OPENEYE Name: (2E,4E)-N-[(1S,2R)-2-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]-11-methyl-dodeca-2,4-dienamide
IUPAC Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]-11-methyldodeca-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-11-methyl-N-[(2S,3R)-1-[[(3Z,5S,8S,10S)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodeca-2,4-dienamide
MOLECULAR FORMULA: C28H46N4O6
MOLECULAR WEIGHT: 534.68804
SMILES: C[C@H]1/C=C\C(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)/C=C/C=C/CCCCCC(C)C)O
Structure:
CAS RN: 130640-32-3
CAS Name: (E,2E,3S,4S)-4-methoxy-2-(methoxymethylidene)-6-(4-methoxyphenyl)-3-methyl-5-hexenoic acid methyl ester
OPENEYE Name: methyl (E,2E,3S,4S)-4-methoxy-2-(methoxymethylene)-6-(4-methoxyphenyl)-3-methyl-hex-5-enoate
IUPAC Name: methyl (E,2E,3S,4S)-4-methoxy-2-(methoxymethylidene)-6-(4-methoxyphenyl)-3-methylhex-5-enoate
SYSTEMATIC NAME: methyl (E,2E,3S,4S)-4-methoxy-2-(methoxymethylidene)-6-(4-methoxyphenyl)-3-methyl-hex-5-enoate
MOLECULAR FORMULA: C18H24O5
MOLECULAR WEIGHT: 320.38016
SMILES: C[C@H]([C@H](/C=C/C1=CC=C(C=C1)OC)OC)/C(=C\OC)/C(=O)OC
Structure:
CAS RN: 130614-06-1
CAS Name: [(2R)-3-(1-oxohexadecoxy)-2-[(6Z,9Z)-1-oxooctadeca-6,9-dienoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-hexadecanoyloxy-2-[(6Z,9Z)-octadeca-6,9-dienoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C42H80NO8P
MOLECULAR WEIGHT: 758.060261
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\CCCCCCCC
Structure:
CAS RN: 130603-59-7
CAS Name: (3Z,6Z)-1-methyl-3,6-bis(phenylmethylene)piperazine-2,5-dione
OPENEYE Name: (3Z,6Z)-3,6-dibenzylidene-1-methyl-piperazine-2,5-dione
IUPAC Name: (3Z,6Z)-3,6-dibenzylidene-1-methylpiperazine-2,5-dione
SYSTEMATIC NAME: (3Z,6Z)-1-methyl-3,6-bis(phenylmethylidene)piperazine-2,5-dione
MOLECULAR FORMULA: C19H16N2O2
MOLECULAR WEIGHT: 304.34254
SMILES: CN1/C(=C\C2=CC=CC=C2)/C(=O)N/C(=C\C3=CC=CC=C3)/C1=O
Structure:
CAS RN: 130466-54-5
CAS Name: (Z)-6-[(1S,2S,3R,4S)-2-[[(4-bromophenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]-5-hexenoic acid
OPENEYE Name: (Z)-6-[(1S,2R,3S,4S)-3-[[(4-bromophenyl)sulfonylamino]methyl]norbornan-2-yl]hex-5-enoic acid
IUPAC Name: (Z)-6-[(1S,2S,3R,4S)-2-[[(4-bromophenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
SYSTEMATIC NAME: (Z)-6-[(1S,2S,3R,4S)-2-[[(4-bromophenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
MOLECULAR FORMULA: C20H26BrNO4S
MOLECULAR WEIGHT: 456.39374
SMILES: C1C[C@H]2C[C@H]1[C@@H]([C@H]2/C=C\CCCC(=O)O)CNS(=O)(=O)C3=CC=C(C=C3)Br
Structure:
CAS RN: 130447-82-4
CAS Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien
OPENEYE Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]-3-sulfanyl-propanoi
IUPAC Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]-3-sul
SYSTEMATIC NAME: (2R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino
MOLECULAR FORMULA: C48H80N10O8S
MOLECULAR WEIGHT: 957.276
SMILES: C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N(C/C=C(/C)\CC/C=C(/C)\CCC=C(C)C)[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(C)C)N
Structure:
CAS RN: 130447-37-9
CAS Name: (1S,3S)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
OPENEYE Name: (1S,3S)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
IUPAC Name: (1S,3S)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3S)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
MOLECULAR FORMULA: C26H44O3
MOLECULAR WEIGHT: 404.62576
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@@H](C[C@H](C3)O)O)C
Structure:
CAS RN: 130413-80-8
CAS Name: (2R)-3-mercapto-2-[[(2E,6E,10E)-3,7,11,15-tetramethyl-1-oxohexadeca-2,6,10,14-tetraenyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2R)-3-sulfanyl-2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propanoate
IUPAC Name: methyl (2R)-3-sulfanyl-2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-sulfanyl-2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propanoate
MOLECULAR FORMULA: C24H39NO3S
MOLECULAR WEIGHT: 421.63636
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)N[C@@H](CS)C(=O)OC)/C)/C)/C)C
Structure:
CAS RN: 130377-59-2
CAS Name: 5-[(1S,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid
OPENEYE Name: 5-[(1S,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxy-pent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid
IUPAC Name: 5-[(1S,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid
SYSTEMATIC NAME: 5-[(1S,2S,3aR,7aR)-1-[(E,3R)-4-methyl-3-oxidanyl-4-phenoxy-pent-1-enyl]-2-oxidanyl-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]pentanoic acid
MOLECULAR FORMULA: C26H36O5
MOLECULAR WEIGHT: 428.56104
SMILES: CC(C)([C@@H](/C=C/[C@H]1[C@@H]2CCC(=C[C@@H]2C[C@@H]1O)CCCCC(=O)O)O)OC3=CC=CC=C3
Structure:
CAS RN: 130288-22-1
CAS Name: (3R,4Z,6Z,8E)-3-hydroxy-2,2,4-trimethyl-10-(5-oxazolyl)deca-4,6,8-trienamide
OPENEYE Name: (3R,4Z,6Z,8E)-3-hydroxy-2,2,4-trimethyl-10-oxazol-5-yl-deca-4,6,8-trienamide
IUPAC Name: (3R,4Z,6Z,8E)-3-hydroxy-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide
SYSTEMATIC NAME: (3R,4Z,6Z,8E)-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)-3-oxidanyl-deca-4,6,8-trienamide
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: C/C(=C/C=C\C=C\CC1=CN=CO1)/[C@H](C(C)(C)C(=O)N)O
Structure:
CAS RN: 130211-75-5
CAS Name: (2E)-N-(4-hydroxy-3,5-dimethylphenyl)-3,7-dimethylocta-2,6-dienamide
OPENEYE Name: (2E)-N-(4-hydroxy-3,5-dimethyl-phenyl)-3,7-dimethyl-octa-2,6-dienamide
IUPAC Name: (2E)-N-(4-hydroxy-3,5-dimethylphenyl)-3,7-dimethylocta-2,6-dienamide
SYSTEMATIC NAME: (2E)-N-(3,5-dimethyl-4-oxidanyl-phenyl)-3,7-dimethyl-octa-2,6-dienamide
MOLECULAR FORMULA: C18H25NO2
MOLECULAR WEIGHT: 287.3966
SMILES: CC1=CC(=CC(=C1O)C)NC(=O)/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 130209-77-7
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester
OPENEYE Name: isopropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoate
IUPAC Name: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E)-3-oxidanylidene-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C26H36O5
MOLECULAR WEIGHT: 428.56104
SMILES: CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(=O)CCC2=CC=CC=C2)O)O
Structure:
CAS RN: 130209-76-6
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester
OPENEYE Name: isopropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoate
IUPAC Name: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E)-3-oxidanyl-5-phenyl-pent-1-enyl]cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C26H38O5
MOLECULAR WEIGHT: 430.57692
SMILES: CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(CCC2=CC=CC=C2)O)O)O
Structure:
CAS RN: 76448-34-5
CAS Name: (4E,8E,10E)-12-hydroxyheptadeca-4,8,10-trienoic acid
OPENEYE Name: (4E,8E,10E)-12-hydroxyheptadeca-4,8,10-trienoic acid
IUPAC Name: (4E,8E,10E)-12-hydroxyheptadeca-4,8,10-trienoic acid
SYSTEMATIC NAME: (4E,8E,10E)-12-oxidanylheptadeca-4,8,10-trienoic acid
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CCCCCC(/C=C/C=C/CC/C=C/CCC(=O)O)O
Structure:
CAS RN: 73899-78-2
CAS Name: (1S,2Z,7S,10Z,12R,13R)-12-hydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
OPENEYE Name: (1S,2Z,7S,10Z,12R,13R)-12-hydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
IUPAC Name: (1S,2Z,7S,10Z,12R,13R)-12-hydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
SYSTEMATIC NAME: (1S,2Z,7S,10Z,12R,13R)-7-methyl-12-oxidanyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
MOLECULAR FORMULA: C16H24O3
MOLECULAR WEIGHT: 264.35996
SMILES: C[C@H]1CCC/C=C\[C@@H]2CCC[C@H]2[C@@H](/C=C\C(=O)O1)O
Structure:
CAS RN: 130007-56-6
CAS Name: methyl-[6-[(2E,4Z)-5,6,6,6-tetrafluoro-3-methylhexa-2,4-dienyl]sulfinyl-1H-benzimidazol-2-yl]carbamic acid; N-[6-[(2E,4Z)-5,6,6,6-tetrafluoro-2-methylhexa-2,4-dienyl]sulfinyl-1H-benzimidazol-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[6-[(2E,4Z)-5,6,6,6-tetrafluoro-2-methyl-hexa-2,4-dienyl]sulfinyl-1H-benzimidazol-2-yl]carbamate; methyl-[6-[(2E,4Z)-5,6,6,6-tetrafluoro-3-methyl-hexa-2,4-dienyl]sulfinyl-1H-benzimidazol-2-yl]carbamic acid
IUPAC Name: methyl N-[6-[(2E,4Z)-5,6,6,6-tetrafluoro-2-methylhexa-2,4-dienyl]sulfinyl-1H-benzimidazol-2-yl]carbamate; methyl-[6-[(2E,4Z)-5,6,6,6-tetrafluoro-3-methylhexa-2,4-dienyl]sulfinyl-1H-benzimidazol-2-yl]carbamic acid
SYSTEMATIC NAME: methyl N-[6-[(2E,4Z)-5,6,6,6-tetrakis(fluoranyl)-2-methyl-hexa-2,4-dienyl]sulfinyl-1H-benzimidazol-2-yl]carbamate; methyl-[6-[(2E,4Z)-5,6,6,6-tetrakis(fluoranyl)-3-methyl-hexa-2,4-dienyl]sulfinyl-1H-benzimidazol-2-yl]carbamic acid
MOLECULAR FORMULA: C32H30F8N6O6S2
MOLECULAR WEIGHT: 810.734426
SMILES: C/C(=C\C=C(\C(F)(F)F)/F)/CS(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC.C/C(=C\CS(=O)C1=CC2=C(C=C1)N=C(N2)N(C)C(=O)O)/C=C(/C(F)(F)F)\F
Structure:
CAS RN: 129722-03-8
CAS Name: 2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-formyl-1-imidazolyl]methyl]phenyl]benzoic acid
OPENEYE Name: 2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-formyl-imidazol-1-yl]methyl]phenyl]benzoic acid
IUPAC Name: 2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-formylimidazol-1-yl]methyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[[2-[(E)-but-1-enyl]-4-chloranyl-5-methanoyl-imidazol-1-yl]methyl]phenyl]benzoic acid
MOLECULAR FORMULA: C22H19ClN2O3
MOLECULAR WEIGHT: 394.85086
SMILES: CC/C=C/C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C=O)Cl
Structure:
CAS RN: 129623-36-5
CAS Name: [[(2R,3S,5R)-5-[5-[(E)-3-[[(4-azidophenyl)-oxomethyl]amino]prop-1-enyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,5R)-5-[5-[(E)-3-[(4-azidobenzoyl)amino]prop-1-enyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,5R)-5-[5-[(E)-3-[(4-azidobenzoyl)amino]prop-1-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,5R)-5-[5-[(E)-3-[(4-azidophenyl)carbonylamino]prop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C19H23N6O15P3
MOLECULAR WEIGHT: 668.338403
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/CNC(=O)C3=CC=C(C=C3)N=[N+]=[N-])COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 129509-47-3
CAS Name: (E)-9-octadecenoic acid [3-[2-(2,4-dinitroanilino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [3-[2-(2,4-dinitroanilino)ethoxy-hydroxy-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
IUPAC Name: [3-[2-(2,4-dinitroanilino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [3-[2-[(2,4-dinitrophenyl)amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C47H80N3O12P
MOLECULAR WEIGHT: 910.124761
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 129445-40-5
CAS Name: 4-oxo-4-[2-[(E)-1-oxooctadec-9-enoxy]-3-[(Z)-1-oxooctadec-9-enoxy]propoxy]butanoic acid
OPENEYE Name: 4-[2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-4-oxo-butanoic acid
IUPAC Name: 4-[2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[2-[(E)-octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C43H76O8
MOLECULAR WEIGHT: 721.05874
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCC(=O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC
Structure:
CAS RN: 129350-09-0
CAS Name: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]-2-propen-1-ol
OPENEYE Name: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-phenyl]prop-2-en-1-ol
IUPAC Name: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]prop-2-en-1-ol
SYSTEMATIC NAME: (E)-3-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxy-phenyl]prop-2-en-1-ol
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CC(=CCC/C(=C/COC1=C(C=C(C=C1)/C=C/CO)OC)/C)C
Structure:
CAS RN: 129242-88-2
CAS Name: (E)-3-(4-aminophenyl)-2-(4-chlorophenyl)-N,N-dimethyl-2-propenamide
OPENEYE Name: (E)-3-(4-aminophenyl)-2-(4-chlorophenyl)-N,N-dimethyl-prop-2-enamide
IUPAC Name: (E)-3-(4-aminophenyl)-2-(4-chlorophenyl)-N,N-dimethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(4-aminophenyl)-2-(4-chlorophenyl)-N,N-dimethyl-prop-2-enamide
MOLECULAR FORMULA: C17H17ClN2O
MOLECULAR WEIGHT: 300.78268
SMILES: CN(C)C(=O)/C(=C/C1=CC=C(C=C1)N)/C2=CC=C(C=C2)Cl
Structure:
CAS RN: 129238-77-3
CAS Name: 1-[2-(2-phenylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
OPENEYE Name: 1-[(E)-cinnamyl]-4-[2-(2-phenylphenoxy)ethyl]piperazine
IUPAC Name: 1-[2-(2-phenylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SYSTEMATIC NAME: 1-[2-(2-phenylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
MOLECULAR FORMULA: C27H30N2O
MOLECULAR WEIGHT: 398.5399
SMILES: C1CN(CCN1CCOC2=CC=CC=C2C3=CC=CC=C3)C/C=C/C4=CC=CC=C4
Structure:
CAS RN: 129200-10-8
CAS Name: (E)-2-butenedioic acid; 2-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]acetic acid (4-methoxyphenyl) ester
OPENEYE Name: fumaric acid; (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
IUPAC Name: (E)-but-2-enedioic acid; (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; (4-methoxyphenyl) 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanoate
MOLECULAR FORMULA: C27H34N2O10
MOLECULAR WEIGHT: 546.56626
SMILES: COC1=CC=C(C=C1)OC(=O)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 129163-98-0
CAS Name: (5S,8R,9S,10S,13S,14S)-17-hydroxy-17-[(E)-2-iodoethenyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (5S,8R,9S,10S,13S,14S)-17-hydroxy-17-[(E)-2-iodovinyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (5S,8R,9S,10S,13S,14S)-17-hydroxy-17-[(E)-2-iodoethenyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S)-17-[(E)-2-iodanylethenyl]-10,13-dimethyl-17-oxidanyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H31IO2
MOLECULAR WEIGHT: 442.37411
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4(/C=C/I)O)C
Structure:
CAS RN: 129120-00-9
CAS Name: (E)-4-(6-methoxy-2-naphthalenyl)-4-oxo-2-butenoic acid methyl ester
OPENEYE Name: methyl (E)-4-(6-methoxy-2-naphthyl)-4-oxo-but-2-enoate
IUPAC Name: methyl (E)-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoate
SYSTEMATIC NAME: methyl (E)-4-(6-methoxynaphthalen-2-yl)-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C(=O)OC
Structure:
CAS RN: 129119-99-9
CAS Name: (E)-4-(6-methoxy-2-naphthalenyl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(6-methoxy-2-naphthyl)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(6-methoxynaphthalen-2-yl)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C15H12O4
MOLECULAR WEIGHT: 256.25338
SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C(=O)/C=C/C(=O)O
Structure:
CAS RN: 109921-29-1
CAS Name: tetraammonium [[(2R,3S,5R)-5-[5-[(E)-3-[[6-amino-6-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-1-oxohexyl]-(2-amino-1-oxoethyl)amino]prop-1-enyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: tetraammonium [[(2R,3S,5R)-5-[5-[(E)-3-[(2-aminoacetyl)-[6-amino-6-[[5-(dimethylamino)-1-naphthyl]sulfonyl]hexanoyl]amino]prop-1-enyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: tetraazanium [[(2R,3S,5R)-5-[5-[(E)-3-[(2-aminoacetyl)-[6-amino-6-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoyl]amino]prop-1-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: tetraazanium [[(2R,3S,5R)-5-[5-[(E)-3-[[6-azanyl-6-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-hexanoyl]-(2-azanylethanoyl)amino]prop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosp
MOLECULAR FORMULA: C32H61N10O18P3S+4
MOLECULAR WEIGHT: 998.869223
SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)C(CCCCC(=O)N(C/C=C/C3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)C(=O)CN)N.[NH4+].[NH4+].[NH4+].[NH4+]
Structure:
CAS RN: 109857-48-9
CAS Name: (E)-2-amino-5-(diaminomethylideneamino)-2-(fluoromethyl)-3-pentenoic acid
OPENEYE Name: (E)-2-amino-2-(fluoromethyl)-5-guanidino-pent-3-enoic acid
IUPAC Name: (E)-2-amino-5-(diaminomethylideneamino)-2-(fluoromethyl)pent-3-enoic acid
SYSTEMATIC NAME: (E)-2-azanyl-5-[bis(azanyl)methylideneamino]-2-(fluoranylmethyl)pent-3-enoic acid
MOLECULAR FORMULA: C7H13FN4O2
MOLECULAR WEIGHT: 204.202123
SMILES: C(/C=C/C(CF)(C(=O)O)N)N=C(N)N
Structure:
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