CAS RN: 111566-66-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28NO7+
MOLECULAR WEIGHT: 382.42812
SMILES: C[C@@H]1C/C(=C\CO)/C(=O)O[C@@H]2CC[N+]3([C@@]2(C(=CC3)COC(=O)[C@]1(C)O)O)C
Structure:
CAS RN: 111337-86-1
CAS Name: (3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-5-hydroxy-6-[[(2E,4Z)-1-oxohexa-2,4-dienyl]amino]hexanamide
OPENEYE Name: (3R,5R)-3-amino-N-(3-amino-3-imino-propyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxy-hexanamide
IUPAC Name: (3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxyhexanamide
SYSTEMATIC NAME: (3R,5R)-3-azanyl-N-(3-azanyl-3-azanylidene-propyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-oxidanyl-hexanamide
MOLECULAR FORMULA: C15H27N5O3
MOLECULAR WEIGHT: 325.40658
SMILES: C/C=C\C=C\C(=O)NC[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O
Structure:
CAS RN: 108073-61-6
CAS Name: 2-(hydroxymethyl)-6-[[2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridinyl]oxy]oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-[[2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridyl]oxy]tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-[2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methylpyridin-4-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2-[2,3-dimethoxy-5-methyl-6-[(2E,5E,7E,11E)-3,7,9,11-tetramethyl-10-oxidanyl-trideca-2,5,7,11-tetraenyl]pyridin-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C31H47NO9
MOLECULAR WEIGHT: 577.70618
SMILES: C/C=C(\C)/C(C(C)/C=C(\C)/C=C/C/C(=C/CC1=NC(=C(C(=C1C)OC2C(C(C(C(O2)CO)O)O)O)OC)OC)/C)O
Structure:
CAS RN: 107745-54-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H66O10
MOLECULAR WEIGHT: 791.02094
SMILES: CC1C2C/C=C/C3C(C4CC(O3)C(O4)/C=C\C=C/C=C\C(=O)OC5C=CC(C/C=C/CC/C=C/C(CC(O2)CC1O)O)OC5/C(=C/C(C)CCCCC(=O)O)/C)C
Structure:
CAS RN: 107634-78-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H50N4O2
MOLECULAR WEIGHT: 630.8613
SMILES: CCC1=C(C2=CC3=NC(=C4C=C(C\5(C4=NC(=CC6=C(C(=C(N6)C=C1N2)CC)CC)/C5=C\C)CC)C(=O)OCC)C(=C3CC)CC)CC
Structure:
CAS RN: 105389-29-5
CAS Name: (E)-3-phenyl-2-propenoic acid [(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-dihydroxy-2-(2-methoxy-2-oxoethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] ester
OPENEYE Name: [(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-dihydroxy-2-(2-methoxy-2-oxo-ethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-dihydroxy-2-(2-methoxy-2-oxoethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-2-(2-methoxy-2-oxidanylidene-ethyl)-1,4b,8,8-tetramethyl-8a,10-bis(oxidanyl)-3-oxidanylidene-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C30H40O7
MOLECULAR WEIGHT: 512.6344
SMILES: C[C@H]1[C@@H](C(=O)C[C@H]2[C@H]1[C@H]([C@H]([C@@]3([C@@]2(CCCC3(C)C)C)O)OC(=O)/C=C/C4=CC=CC=C4)O)CC(=O)OC
Structure:
CAS RN: 105304-96-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C74H128O20
MOLECULAR WEIGHT: 1337.79612
SMILES: C[C@@H]1O[C@H](C[C@@H](C1)OC)CC[C@@H]([C@H](O)[C@@H]([C@H]2OC(=O)/C(=C/C[C@@H](C[C@H]3O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]([C@H](OC(=O)/C(=C/C[C@@H](C[C@H]4O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]2C)O)O)C)OC)CC=C4)O)/C)[C@H]([C@@H](O)[C@H](CC[C@@H]5O[
Structure:
CAS RN: 105284-38-6
CAS Name: (Z)-2-butenedioic acid; N-[4-[(2-fluorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]-2-[3-(2-methyl-1-piperidinyl)propylamino]acetamide
OPENEYE Name: N-[4-(2-fluorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]-2-[3-(2-methyl-1-piperidyl)propylamino]acetamide; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N-[4-(2-fluorobenzoyl)-2,5-dimethylpyrazol-3-yl]-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N-[4-(2-fluorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]-2-[3-(2-methylpiperidin-1-yl)propylamino]ethanamide
MOLECULAR FORMULA: C27H36FN5O6
MOLECULAR WEIGHT: 545.603043
SMILES: CC1CCCCN1CCCNCC(=O)NC2=C(C(=NN2C)C)C(=O)C3=CC=CC=C3F.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 104987-10-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H67NO12
MOLECULAR WEIGHT: 789.99158
SMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCC3C(=O)OC(C(C(CC(=O)C(/C=C(\C1)/C)CC=C)O)C)/C(=C/C4CCC(C(C4)OC)O)/C)O)C)OC)OC
Structure:
CAS RN: 104884-43-7
CAS Name: [5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-[(E)-1-oxooctadec-9-enoxy]-2-oxolanyl]methyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-[(E)-octadec-9-enoyl]oxy-tetrahydrofuran-2-yl]methyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-[(E)-octadec-9-enoyl]oxyoxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[(E)-octadec-9-enoyl]oxy-oxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C32H55FN3O9P
MOLECULAR WEIGHT: 675.765964
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC1CC(OC1COP(=O)([O-])OCC[N+](C)(C)C)N2C=C(C(=O)NC2=O)F
Structure:
CAS RN: 102358-22-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H34N2O8
MOLECULAR WEIGHT: 562.61026
SMILES: C/C=C\1/CN2[C@H]3C[C@@H]1C([C@@]45[C@@]3(NC6=CC=CC=C64)O[C@H]2C5)(COC(=O)C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC
Structure:
CAS RN: 100415-25-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H66O11
MOLECULAR WEIGHT: 807.02034
SMILES: CC1C2C/C=C/C3C(C4CC(O3)C(O4)/C=C\C=C/C=C\C(=O)OC5C=CC(C/C=C/CC/C=C/C(C(C(O2)CC1O)O)O)OC5/C(=C/C(C)CCCCC(=O)O)/C)C
Structure:
CAS RN: 93939-86-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: C/C=C\1/CC2CC1C3C2OCCC3
Structure:
CAS RN: 92471-87-9
CAS Name: (3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-trihydroxy-17-[(S)-hydroxy-[(2R,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]-2-oxiranyl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
OPENEYE Name: (3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-trihydroxy-17-[(S)-hydroxy-[(2R,3R)-2-methyl-3-[(Z,1S)-1-methylbut-2-enyl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
IUPAC Name: (3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-trihydroxy-17-[(S)-hydroxy-[(2R,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
SYSTEMATIC NAME: (3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-4-methoxy-5,7,9,11,15-pentamethyl-17-[(S)-[(2R,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]-oxidanyl-methyl]-3,8,14-tris(oxidanyl)-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone
MOLECULAR FORMULA: C32H50O11
MOLECULAR WEIGHT: 610.7328
SMILES: C/C=C\[C@H](C)[C@@H]1[C@@](O1)(C)[C@H]([C@H]2COC(=O)[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H](/C(=C\[C@@H](C(=O)C[C@@H]([C@H](C2=O)C)O)C)/C)O)C)C)OC)O)O
Structure:
CAS RN: 90541-57-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H55NO10
MOLECULAR WEIGHT: 673.8333
SMILES: C[C@H]1CC[C@H]2[C@@H]([C@@H]3[C@@H](CN2C1)[C@@H]4CC56[C@H](C4[C@@]([C@@H]3O)(C/C=C(/C)\C(=O)O)O)[C@@H](CC7[C@@]5(CC[C@]([C@]7(O6)O)(C/C=C(/C)\C(=O)O)O)C)O)C
Structure:
CAS RN: 91450-13-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H55NO10
MOLECULAR WEIGHT: 673.8333
SMILES: C[C@H]1CC[C@H]2[C@@H]([C@@H]3[C@@H](CN2C1)[C@@H]4CC56[C@H](C4[C@@]([C@@H]3O)(C/C=C(/C)\C(=O)O)O)[C@@H](CC7[C@@]5(CC[C@]([C@]7(O6)O)(C/C=C(/C)\C(=O)O)O)C)O)C
Structure:
CAS RN: 90341-45-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25NO6
MOLECULAR WEIGHT: 375.4156
SMILES: C/C=C/1\CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C
Structure:
CAS RN: 89923-58-0
CAS Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-methyl-4-nitroaniline sulfate
OPENEYE Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-methyl-4-nitro-aniline sulfate
IUPAC Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline sulfate
SYSTEMATIC NAME: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitro-aniline sulfate
MOLECULAR FORMULA: C32H32N10O10S3
MOLECULAR WEIGHT: 812.85248
SMILES: C[N+]1=C(SC2=C1C=CC(=C2)OC)/N=N/N(C3=CC=C(C=C3)[N+](=O)[O-])C.C[N+]1=C(SC2=C1C=CC(=C2)OC)/N=N/N(C3=CC=C(C=C3)[N+](=O)[O-])C.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 89923-57-9
CAS Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-methyl-4-nitroaniline; methyl sulfate
OPENEYE Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]-N-methyl-4-nitro-aniline; methyl sulfate
IUPAC Name: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitroaniline; methyl sulfate
SYSTEMATIC NAME: N-[(E)-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-methyl-4-nitro-aniline; methyl sulfate
MOLECULAR FORMULA: C17H19N5O7S2
MOLECULAR WEIGHT: 469.49206
SMILES: C[N+]1=C(SC2=C1C=CC(=C2)OC)/N=N/N(C)C3=CC=C(C=C3)[N+](=O)[O-].COS(=O)(=O)[O-]
Structure:
CAS RN: 88979-61-7
CAS Name: (E)-4-[[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yl-4-oxanyl]oxy]-4-oxo-2-butenoic ac
OPENEYE Name: (E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(1S,2R,3S)-2-hydroxy-3-[(3S,4Z,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-1-methyl-butyl]-6-isopropyl-5-methyl-tetrahydropyran-4-yl]oxy-4-oxo-b
IUPAC Name: (E)-4-[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(3S,4Z,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(3S,4Z,6E,9S,10S,11R,12E,14Z)-3,15-dimethoxy-7,9,11,13-tetramethyl-10-oxidanyl-16-oxidanylidene-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-3-oxidanyl-pentan-2-yl]-5-methyl-2-oxidanyl-6-propan-2-yl-oxan-4-yl]oxy-4-oxid
MOLECULAR FORMULA: C39H60O12
MOLECULAR WEIGHT: 720.8865
SMILES: C[C@H]1C/C(=C/C=C\[C@@H](C(OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)/C=C/C(=O)O)O)O)OC)/C
Structure:
CAS RN: 87913-35-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H49NO12S
MOLECULAR WEIGHT: 743.86016
SMILES: CC1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C(=C3C(=O)/C(=C\C(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)C)/C)OC)C)O)SC)/C
Structure:
CAS RN: 87790-39-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H42O9
MOLECULAR WEIGHT: 558.65978
SMILES: CCCCCCCC/C=C/C(=O)O[C@@H]1[C@H]2C(=C)[C@H]([C@]3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O
Structure:
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