CAS RN: 151868-50-7
CAS Name: 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid
OPENEYE Name: 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid
IUPAC Name: 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid
SYSTEMATIC NAME: 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid
MOLECULAR FORMULA: C34H49NO4S2
MOLECULAR WEIGHT: 599.88716
SMILES: CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O)/C)/C)/C)/C)C
Structure:
CAS RN: 151731-18-9
CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(4E)-1-(4-chlorophenyl)-5-oxo-4-(thiophen-2-ylmethylidene)-2-imidazolyl]thio]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(4E)-1-(4-chlorophenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4E)-1-(4-chlorophenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4E)-1-(4-chlorophenyl)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C28H27ClN2O10S2
MOLECULAR WEIGHT: 651.10438
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=N/C(=C/C3=CC=CS3)/C(=O)N2C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 496053-68-0
CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(4E)-1-(4-chlorophenyl)-5-oxo-4-(thiophen-2-ylmethylidene)-2-imidazolyl]thio]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(4E)-1-(4-chlorophenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4E)-1-(4-chlorophenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4E)-1-(4-chlorophenyl)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C28H27ClN2O10S2
MOLECULAR WEIGHT: 651.10438
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=N/C(=C/C3=CC=CS3)/C(=O)N2C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 151731-16-7
CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(4E)-5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)-2-imidazolyl]thio]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(4E)-5-oxo-1-phenyl-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4E)-5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4E)-5-oxidanylidene-1-phenyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C28H28N2O10S2
MOLECULAR WEIGHT: 616.65932
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=N/C(=C/C3=CC=CS3)/C(=O)N2C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 151703-09-2
CAS Name: (8S,9R,13R,16R,17R)-17-[(E,2R)-2,3-dihydroxy-6-methoxy-6-methylhept-4-en-2-yl]-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one
OPENEYE Name: (8S,9R,13R,16R,17R)-17-[(E,1R)-1,2-dihydroxy-5-methoxy-1,5-dimethyl-hex-3-enyl]-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-on
IUPAC Name: (8S,9R,13R,16R,17R)-17-[(E,2R)-2,3-dihydroxy-6-methoxy-6-methylhept-4-en-2-yl]-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one
SYSTEMATIC NAME: (8S,9R,13R,16R,17R)-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-[(E,2R)-6-methoxy-6-methyl-2,3-bis(oxidanyl)hept-4-en-2-yl]-4,9,13,14-tetramethyl-3,16-bis(oxidanyl)-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-on
MOLECULAR FORMULA: C36H54O12
MOLECULAR WEIGHT: 678.80676
SMILES: CC1=C2CC[C@@H]3[C@](C2=CC(=C1O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)(C(=O)C[C@]5(C3(C[C@H]([C@@H]5[C@](C)(C(/C=C/C(C)(C)OC)O)O)O)C)C)C
Structure:
CAS RN: 151606-24-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H42O3
MOLECULAR WEIGHT: 426.63128
SMILES: C[C@H](/C=C/[C@H](C)C(=C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C24C=CC5([C@@]3(CC[C@@H](C5)O)C)OO4)C
Structure:
CAS RN: 151455-12-8
CAS Name: (E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-propenal
OPENEYE Name: (E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enal
IUPAC Name: (E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enal
SYSTEMATIC NAME: (E)-3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]prop-2-enal
MOLECULAR FORMULA: C14H16O2
MOLECULAR WEIGHT: 216.27564
SMILES: CC(=CCC1=C(C=CC(=C1)/C=C/C=O)O)C
Structure:
CAS RN: 151124-32-2
CAS Name: (2R,3S,5Z,8Z,11Z,14Z,17E,20Z,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
OPENEYE Name: (2R,3S,5Z,8Z,11Z,14Z,17E,20Z,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
IUPAC Name: (2R,3S,5Z,8Z,11Z,14Z,17E,20Z,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
SYSTEMATIC NAME: (2R,3S,5Z,8Z,11Z,14Z,17E,20Z,28S,29R)-2,29-bis(azanyl)triaconta-5,8,11,14,17,20-hexaene-3,28-diol
MOLECULAR FORMULA: C30H52N2O2
MOLECULAR WEIGHT: 472.74608
SMILES: C[C@H]([C@H](CCCCCC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]([C@@H](C)N)O)O)N
Structure:
CAS RN: 334010-39-8
CAS Name: (2R,3S,5Z,8Z,11Z,14Z,17E,20Z,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
OPENEYE Name: (2R,3S,5Z,8Z,11Z,14Z,17E,20Z,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
IUPAC Name: (2R,3S,5Z,8Z,11Z,14Z,17E,20Z,28S,29R)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
SYSTEMATIC NAME: (2R,3S,5Z,8Z,11Z,14Z,17E,20Z,28S,29R)-2,29-bis(azanyl)triaconta-5,8,11,14,17,20-hexaene-3,28-diol
MOLECULAR FORMULA: C30H52N2O2
MOLECULAR WEIGHT: 472.74608
SMILES: C[C@H]([C@H](CCCCCC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]([C@@H](C)N)O)O)N
Structure:
CAS RN: 151028-44-3
CAS Name: (2E,4E)-4-amino-6-oxohepta-2,4-dienedioic acid
OPENEYE Name: (2E,4E)-4-amino-6-oxo-hepta-2,4-dienedioic acid
IUPAC Name: (2E,4E)-4-amino-6-oxohepta-2,4-dienedioic acid
SYSTEMATIC NAME: (2E,4E)-4-azanyl-6-oxidanylidene-hepta-2,4-dienedioic acid
MOLECULAR FORMULA: C7H7NO5
MOLECULAR WEIGHT: 185.13418
SMILES: C(=C/C(=O)O)\C(=C/C(=O)C(=O)O)\N
Structure:
CAS RN: 150995-11-2
CAS Name: (2R,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C21H36O10
MOLECULAR WEIGHT: 448.50454
SMILES: CC(=CCC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O)/C)C
Structure:
CAS RN: 150669-69-5
CAS Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid iodide
OPENEYE Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid iodide
IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid iodide
SYSTEMATIC NAME: 2-[[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]-5-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenoxy]ethoxy]-4-methyl-phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid iodide
MOLECULAR FORMULA: C34H36IN3O10S
MOLECULAR WEIGHT: 805.63321
SMILES: CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)N(CC(=O)O)CC(=O)O)OCCOC4=C(C=CC(=C4)C)N(CC(=O)O)CC(=O)O.[I-]
Structure:
CAS RN: 150626-50-9
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,2R)-7-hydroxy-6-methyl-2-[(10R,12R,13S,14R,17S)-1,3,12-trihydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oct-5-en-
OPENEYE Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,1R)-6-hydroxy-1,5-dimethyl-1-[(10R,12R,13S,14R,17S)-1,3,12-trihydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]hept-
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E,2R)-7-hydroxy-6-methyl-2-[(10R,12R,13S,14R,17S)-1,3,12-trihydroxy-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oct-5-en-
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-6-[(E,2R)-6-methyl-7-oxidanyl-2-[(10R,12R,13S,14R,17S)-4,4,10,14-tetramethyl-1,3,12-tris(oxidanyl)-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oct-5-en-2-yl]oxy-3,4
MOLECULAR FORMULA: C42H72O15
MOLECULAR WEIGHT: 817.01208
SMILES: CC(/C(=C/CC[C@](C)([C@H]1CC[C@]2([C@H]1[C@@H](CC3C2CCC4[C@@]3(C(CC(C4(C)C)O)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)/C)O
Structure:
CAS RN: 150529-59-2
CAS Name: N-[1-[[(Z)-3-[[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[1-methyl-2-[[(Z)-1-[[(E)-1-(methylcarbamoyl)-2-phenyl-vinyl]carbamoyl]-2-phenyl-vinyl]amino]-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[1-[[(Z)-3-[[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]amino]-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[1-[[(Z)-3-[[(E)-3-(methylamino)-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]amino]-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C27H32N4O5
MOLECULAR WEIGHT: 492.56678
SMILES: CC(C(=O)N/C(=C\C1=CC=CC=C1)/C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NC)NC(=O)OC(C)(C)C
Structure:
CAS RN: 149155-71-5
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]-2-oxanyl]methoxy]-3-oxolanyl]methyl ester
OPENEYE Name: [3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-2-yl]methoxy]tetrahydrofuran-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [5-[[6-[2-(4-hydroxyphenyl)ethoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3,4-bis(oxidanyl)oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C28H34O13
MOLECULAR WEIGHT: 578.56176
SMILES: C1C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)(COC(=O)/C=C/C4=CC=C(C=C4)O)O
Structure:
CAS RN: 148942-81-8
CAS Name: (5S,6E,8Z,10E,12E,14R,15S)-5,14,15,20-tetrahydroxyeicosa-6,8,10,12-tetraenoic acid
OPENEYE Name: (5S,6E,8Z,10E,12E,14R,15S)-5,14,15,20-tetrahydroxyicosa-6,8,10,12-tetraenoic acid
IUPAC Name: (5S,6E,8Z,10E,12E,14R,15S)-5,14,15,20-tetrahydroxyicosa-6,8,10,12-tetraenoic acid
SYSTEMATIC NAME: (5S,6E,8Z,10E,12E,14R,15S)-5,14,15,20-tetrakis(oxidanyl)icosa-6,8,10,12-tetraenoic acid
MOLECULAR FORMULA: C20H32O6
MOLECULAR WEIGHT: 368.46448
SMILES: C(CC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@H](CCCC(=O)O)O)O)O)CCO
Structure:
CAS RN: 148914-46-9
CAS Name: N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S)-1-benzyl-2-[[(E)-1-(methylcarbamoyl)prop-1-enyl]amino]-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxobut-2-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-1-[[(E)-1-(methylamino)-1-oxidanylidene-but-2-en-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C19H27N3O4
MOLECULAR WEIGHT: 361.43538
SMILES: C/C=C(\C(=O)NC)/NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C
Structure:
CAS RN: 148763-98-8
CAS Name: (9E,12E)-octadeca-9,12-dienoic acid [1-[[5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-(1-oxohexadecoxy)propan-2-yl] ester
OPENEYE Name: [1-[[[5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: [1-[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: [1-[[5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C46H78FN2O13P
MOLECULAR WEIGHT: 917.089284
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Structure:
CAS RN: 148763-97-7
CAS Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoic acid [1-[[5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-(1-oxohexadecoxy)propan-2-yl] ester
OPENEYE Name: [1-[[[5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
IUPAC Name: [1-[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
SYSTEMATIC NAME: [1-[[5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
MOLECULAR FORMULA: C48H78FN2O13P
MOLECULAR WEIGHT: 941.110684
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
Structure:
CAS RN: 148682-73-9
CAS Name: (Z)-5-[(2R,3S,4S)-4-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]-3-oxanyl]-3-pentenoic acid
OPENEYE Name: (Z)-5-[(2R,3S,4S)-4-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]tetrahydropyran-3-yl]pent-3-enoic acid
IUPAC Name: (Z)-5-[(2R,3S,4S)-4-hydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid
SYSTEMATIC NAME: (Z)-5-[(2R,3S,4S)-4-oxidanyl-2-[(E)-3-oxidanyloct-1-enyl]oxan-3-yl]pent-3-enoic acid
MOLECULAR FORMULA: C18H30O5
MOLECULAR WEIGHT: 326.4278
SMILES: CCCCCC(/C=C/[C@@H]1[C@H]([C@H](CCO1)O)C/C=C\CC(=O)O)O
Structure:
CAS RN: 148642-20-0
CAS Name: (2Z,4Z)-2-hydroxy-6-oxonona-2,4-dienoic acid
OPENEYE Name: (2Z,4Z)-2-hydroxy-6-oxo-nona-2,4-dienoic acid
IUPAC Name: (2Z,4Z)-2-hydroxy-6-oxonona-2,4-dienoic acid
SYSTEMATIC NAME: (2Z,4Z)-2-oxidanyl-6-oxidanylidene-nona-2,4-dienoic acid
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: CCCC(=O)/C=C\C=C(\C(=O)O)/O
Structure:
CAS RN: 148504-32-9
CAS Name: (5R,6E,8Z,10E,12R)-5,12-dihydroxy-12-methyleicosa-6,8,10-trienoic acid
OPENEYE Name: (5R,6E,8Z,10E,12R)-5,12-dihydroxy-12-methyl-icosa-6,8,10-trienoic acid
IUPAC Name: (5R,6E,8Z,10E,12R)-5,12-dihydroxy-12-methylicosa-6,8,10-trienoic acid
SYSTEMATIC NAME: (5R,6E,8Z,10E,12R)-12-methyl-5,12-bis(oxidanyl)icosa-6,8,10-trienoic acid
MOLECULAR FORMULA: C21H36O4
MOLECULAR WEIGHT: 352.50814
SMILES: CCCCCCCC[C@](C)(/C=C/C=C\C=C\[C@@H](CCCC(=O)O)O)O
Structure:
CAS RN: 148274-75-3
CAS Name: (5E,8E,11E,14E)-20-[(2-azido-5-iodophenyl)-oxomethoxy]eicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5E,8E,11E,14E)-20-(2-azido-5-iodo-benzoyl)oxyicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5E,8E,11E,14E)-20-(2-azido-5-iodobenzoyl)oxyicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,11E,14E)-20-(2-azido-5-iodanyl-phenyl)carbonyloxyicosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C27H34IN3O4
MOLECULAR WEIGHT: 591.48103
SMILES: C1=CC(=C(C=C1I)C(=O)OCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O)N=[N+]=[N-]
Structure:
CAS RN: 147736-07-0
CAS Name: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[(2-methoxy-4-methyl-2-oxo-1,3,2$l^{5}-dioxaphosphetan-4-yl)methylamino]-3-oxopropyl]-1,2,5,7,12,12,15,17-o
OPENEYE Name: cobaltic; 2-(6-aminopurin-9-yl)-5-methanidyl-tetrahydrofuran-3,4-diol; 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxo-ethyl)-3,13-bis(3-amino-3-oxo-propyl)-17-[3-[(2-methoxy-4-methyl-2-oxo-1,3,2$l^{5}-dioxaphosphetan-4-yl)methylamino]-3-oxo-propyl]-1,2,5,7,12,
IUPAC Name: 2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-[(2-methoxy-4-methyl-2-oxo-1,3,2$l^{5}-dioxaphosphetan-4-yl)methylamino]-3-oxopropyl]-1,2,5,7,12,12,15,17-o
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-5-methanidyl-oxolane-3,4-diol; cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-azanyl-2-oxidanylidene-ethyl)-3,13-bis(3-azanyl-3-oxidanylidene-propyl)-17-[3-[(2-methoxy-4-methyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphetan-4-yl)methylamino]
MOLECULAR FORMULA: C59H85CoN16O14P+
MOLECULAR WEIGHT: 1332.311961
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC6(OP(=O)(O6)OC)C.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+3]
Structure:
CAS RN: 147705-04-2
CAS Name: (2R,4S,5Z,7R,8R)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
OPENEYE Name: (2R,4S,5Z,7R,8R)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
IUPAC Name: (2R,4S,5Z,7R,8R)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
SYSTEMATIC NAME: (2R,4S,5Z,7R,8R)-2-methyl-4,7,8-tris(oxidanyl)-2,3,4,7,8,9-hexahydrooxecin-10-one
MOLECULAR FORMULA: C10H16O5
MOLECULAR WEIGHT: 216.23104
SMILES: C[C@@H]1C[C@@H](/C=C\[C@H]([C@@H](CC(=O)O1)O)O)O
Structure:
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