CAS RN: 137348-25-5
CAS Name: (E)-2-acetamido-N-[1-[[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-enyl]amino]-1-oxopropan-2-yl]-3-phenyl-2-propenamide
OPENEYE Name: (E)-2-acetamido-N-[1-methyl-2-[[(E)-3-(methylamino)-3-oxo-1-phenyl-prop-1-enyl]amino]-2-oxo-ethyl]-3-phenyl-prop-2-enamide
IUPAC Name: (E)-2-acetamido-N-[1-[[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-enyl]amino]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-2-acetamido-N-[1-[[(E)-3-(methylamino)-3-oxidanylidene-1-phenyl-prop-1-enyl]amino]-1-oxidanylidene-propan-2-yl]-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C24H26N4O4
MOLECULAR WEIGHT: 434.48764
SMILES: CC(C(=O)N/C(=C/C(=O)NC)/C1=CC=CC=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C
Structure:
CAS RN: 136767-21-0
CAS Name: 2-[[2-[[(E)-2-acetamido-1-oxo-3-phenylprop-2-enyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester
OPENEYE Name: methyl 2-[[2-[[(E)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
IUPAC Name: methyl 2-[[2-[[(E)-2-acetamido-3-phenylprop-2-enoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
SYSTEMATIC NAME: methyl 2-[[2-[[(E)-2-acetamido-3-phenyl-prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
MOLECULAR FORMULA: C22H31N3O5
MOLECULAR WEIGHT: 417.49864
SMILES: CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C
Structure:
CAS RN: 135680-82-9
CAS Name: (3S)-3-[[[(2S)-1-[(E,2S)-2-amino-5-(diaminomethylideneamino)-1-oxopent-3-enyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-[[(2R)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[(2S)-1-[(E,2S)-2-amino-5-guanidino-pent-3-enoyl]pyrrolidine-2-carbonyl]amino]-4-[[(1R)-1-[[(1S)-1-formyl-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[(2S)-1-[(E,2S)-2-amino-5-(diaminomethylideneamino)pent-3-enoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2R)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-1-[(E,2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pent-3-enoyl]pyrrolidin-2-yl]carbonylamino]-4-[[(2R)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C29H42N8O8
MOLECULAR WEIGHT: 630.69258
SMILES: CC(C)[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](/C=C/CN=C(N)N)N
Structure:
CAS RN: 135635-47-1
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)N3CCCCC3C(=O)OC(C(C(CC(=O)C(/C=C(/C1)\C)CC=C)O)C)/C(=C/C4CCC(C(C4)O)O)/C)O)C)OC)OC
Structure:
CAS RN: 135546-60-0
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2S,3S,4R,5S)-4-acetyloxy-5-[[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-3-oxanyl]oxy]-3-hydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2S,3S,4R,5S)-4-acetoxy-5-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2S,3S,4R,5S)-4-acetyloxy-5-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3-hydroxyoxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,3S,4R,5S)-4-acetyloxy-5-[(2S,3R,4S,5R)-4,5-bis(oxidanyl)-2-[(2R,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-3-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C27H36O17
MOLECULAR WEIGHT: 632.56454
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H](O[C@H]1O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)OC)O
Structure:
CAS RN: 135529-33-8
CAS Name: (2S,3R)-3-chloro-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5,7-trihydroxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
OPENEYE Name: (2S,3R)-3-chloro-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5,7-trihydroxy-3-(3-methylbut-2-enyl)tetralin-1,4-dione
IUPAC Name: (2S,3R)-3-chloro-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5,7-trihydroxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
SYSTEMATIC NAME: (2S,3R)-3-chloranyl-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(3-methylbut-2-enyl)-2,5,7-tris(oxidanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C25H31ClO5
MOLECULAR WEIGHT: 446.96364
SMILES: CC(=CCC/C(=C/C[C@@]1(C(=O)C2=CC(=CC(=C2C(=O)[C@]1(CC=C(C)C)Cl)O)O)O)/C)C
Structure:
CAS RN: 135010-56-9
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [4-[[4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-6-[2-(4-methoxy-3-oxidanyl-phenyl)ethoxy]-4-[6-methyl-4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C36H48O19
MOLECULAR WEIGHT: 784.75492
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)OC5C(C(C(CO5)O)O)O)O)O
Structure:
CAS RN: 140147-67-7
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [4-[[4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-6-[2-(4-methoxy-3-oxidanyl-phenyl)ethoxy]-4-[6-methyl-4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C36H48O19
MOLECULAR WEIGHT: 784.75492
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)OC5C(C(C(CO5)O)O)O)O)O
Structure:
CAS RN: 142797-41-9
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [4-[[4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxy-phenyl)ethoxy]-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-6-[2-(4-methoxy-3-oxidanyl-phenyl)ethoxy]-4-[6-methyl-4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C36H48O19
MOLECULAR WEIGHT: 784.75492
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)OC5C(C(C(CO5)O)O)O)O)O
Structure:
CAS RN: 134637-04-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H61ClO16
MOLECULAR WEIGHT: 941.45204
SMILES: C[C@@H]1CC23[C@H](/C=C\CCCC[C@@H]4C=C[C@H]5[C@H]([C@@]4(C(=O)OC(=C(O2)O)C3=O)C)CCC[C@@H]5O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)OC(=O)C8=C(C=CC(=C8C)Cl)O)O)C=C1C(=O)O
Structure:
CAS RN: 134615-17-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H61ClO17
MOLECULAR WEIGHT: 957.45144
SMILES: C[C@@H]1CC23[C@H](/C=C\CCCC[C@@H]4C=C[C@H]5[C@H]([C@@]4(C(=O)OC(=C(O2)O)C3=O)C)CCC[C@@H]5O[C@H]6C([C@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)OC(=O)C8=C(C=CC(=C8C)Cl)O)O)O)C=C1C(=O)O
Structure:
CAS RN: 134615-16-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H61ClO17
MOLECULAR WEIGHT: 957.45144
SMILES: C[C@@H]1CC23[C@H](/C=C\CCCC[C@@H]4C=C[C@H]5[C@H]([C@@]4(C(=O)OC(=C(O2)O)C3=O)C)CCC[C@@H]5O[C@H]6C([C@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)OC(=O)C8=C(C=CC(=C8C)Cl)O)O)O)O)C=C1C(=O)O
Structure:
CAS RN: 133867-05-7
CAS Name: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenylidene]amino]ethanesulfonic acid
OPENEYE Name: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethanesulfonic acid
IUPAC Name: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethanesulfonic acid
MOLECULAR FORMULA: C22H33NO3S
MOLECULAR WEIGHT: 391.56732
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=NCCS(=O)(=O)O)/C)/C
Structure:
CAS RN: 133838-66-1
CAS Name: 4-[(2R,3R)-2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
OPENEYE Name: 4-[(2R,3R)-2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
IUPAC Name: 4-[(2R,3R)-2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[(2R,3R)-2-(hydroxymethyl)-6-[(E)-3-oxidanylprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: C1=CC2=C(C=C1/C=C/CO)O[C@@H]([C@H](O2)CO)C3=CC(=C(C=C3)O)O
Structure:
CAS RN: 133393-81-4
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid [5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-3-oxanyl] ester
OPENEYE Name: [5-acetoxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: [5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [5-acetyloxy-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C37H48O20
MOLECULAR WEIGHT: 812.76502
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)OC(=O)C)OC4C(C(C(C(O4)C)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
Structure:
CAS RN: 132413-71-9
CAS Name: 2-[[(E)-3-[[2-[[(E)-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]-1-oxoethyl]amino]-1-oxo-2-phenylprop-2-enyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl 2-[[(E)-3-[[2-[[(E)-2-[2-(tert-butoxycarbonylamino)propanoylamino]-3-phenyl-prop-2-enoyl]amino]acetyl]amino]-2-phenyl-prop-2-enoyl]amino]propanoate
IUPAC Name: methyl 2-[[(E)-3-[[2-[[(E)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylprop-2-enoyl]amino]acetyl]amino]-2-phenylprop-2-enoyl]amino]propanoate
SYSTEMATIC NAME: methyl 2-[[(E)-3-[2-[[(E)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenyl-prop-2-enoyl]amino]ethanoylamino]-2-phenyl-prop-2-enoyl]amino]propanoate
MOLECULAR FORMULA: C32H39N5O8
MOLECULAR WEIGHT: 621.68076
SMILES: CC(C(=O)N/C(=C/C1=CC=CC=C1)/C(=O)NCC(=O)N/C=C(\C2=CC=CC=C2)/C(=O)NC(C)C(=O)OC)NC(=O)OC(C)(C)C
Structure:
CAS RN: 132362-39-1
CAS Name: 24-butan-2-yl-30-ethyl-33-[(E)-1-hydroxy-2-methylhex-4-enyl]-9-(2-hydroxy-2-methylpropyl)-1,4,7,12,15,19,25,28-octamethyl-6,18-bis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32
OPENEYE Name: 30-ethyl-33-[(E)-1-hydroxy-2-methyl-hex-4-enyl]-9-(2-hydroxy-2-methyl-propyl)-6,18-diisobutyl-3,21-diisopropyl-1,4,7,12,15,19,25,28-octamethyl-24-sec-butyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC Name: 24-butan-2-yl-30-ethyl-33-[(E)-1-hydroxy-2-methylhex-4-enyl]-9-(2-hydroxy-2-methylpropyl)-1,4,7,12,15,19,25,28-octamethyl-6,18-bis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32
SYSTEMATIC NAME: 24-butan-2-yl-30-ethyl-1,4,7,12,15,19,25,28-octamethyl-33-[(E)-2-methyl-1-oxidanyl-hex-4-enyl]-9-(2-methyl-2-oxidanyl-propyl)-6,18-bis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,2
MOLECULAR FORMULA: C61H109N11O13
MOLECULAR WEIGHT: 1204.58406
SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)(C)O)C)C)CC(C)C)C)C(C)C)C(C)CC)C)C
Structure:
CAS RN: 132278-37-6
CAS Name: (2R,3R,4S,5S,6R)-2-[(Z)-hex-3-enoxy]-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-[(Z)-hex-3-enoxy]-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-[(Z)-hex-3-enoxy]-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-[(Z)-hex-3-enoxy]-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C17H30O10
MOLECULAR WEIGHT: 394.4141
SMILES: CC/C=C\CCO[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
Structure:
CAS RN: 132160-34-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H38O11
MOLECULAR WEIGHT: 550.59472
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4C/C=C\5/C6C(COC6(OC5=O)C)OC(=O)C4C(C=C3C2)O)C)O)OC)O
Structure:
CAS RN: 131785-80-3
CAS Name: (E)-11,13-dihydroxy-14-octadecenoic acid
OPENEYE Name: (E)-11,13-dihydroxyoctadec-14-enoic acid
IUPAC Name: (E)-11,13-dihydroxyoctadec-14-enoic acid
SYSTEMATIC NAME: (E)-11,13-bis(oxidanyl)octadec-14-enoic acid
MOLECULAR FORMULA: C18H34O4
MOLECULAR WEIGHT: 314.46016
SMILES: CCC/C=C/C(CC(CCCCCCCCCC(=O)O)O)O
Structure:
CAS RN: 131747-25-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H84O21
MOLECULAR WEIGHT: 1021.18936
SMILES: CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC(=O)C(C)CC)OC3C(C(C(OC3OC4C(C(C(OC4O1)C)O)O)CO)O)O)C)OC5C(C(C(C(O5)C)OC(=O)/C(=C/C)/C)O)O
Structure:
CAS RN: 145108-33-4
CAS Name:
OPENEYE Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H84O21
MOLECULAR WEIGHT: 1021.18936
SMILES: CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC(=O)C(C)CC)OC3C(C(C(OC3OC4C(C(C(OC4O1)C)O)O)CO)O)O)C)OC5C(C(C(C(O5)C)OC(=O)/C(=C/C)/C)O)O
Structure:
CAS RN: 131086-54-9
CAS Name: 2-amino-N-[(9Z,15Z)-6-(3-aminopropyl)-15-ethylidene-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methylpropyl)-9-(1H-indol-3-ylmethylidene)-2,5,8,11,14,17,20,23,26-nonaoxo-3-(phenylmethyl)-28-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25-octazac
OPENEYE Name: 2-amino-N-[(9Z,15Z)-6-(3-aminopropyl)-3-benzyl-15-ethylidene-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methyl-propyl)-9-(1H-indol-3-ylmethylene)-28-isopropyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos
IUPAC Name: 2-amino-N-[(9Z,15Z)-6-(3-aminopropyl)-3-benzyl-15-ethylidene-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methylpropyl)-9-(1H-indol-3-ylmethylidene)-2,5,8,11,14,17,20,23,26-nonaoxo-28-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25-octazacycloocta
SYSTEMATIC NAME: 2-azanyl-N-[(9Z,15Z)-6-(3-azanylpropyl)-15-ethylidene-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-9-(1H-indol-3-ylmethylidene)-18-(2-methyl-1-oxidanyl-propyl)-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-3-(phenylmethyl)-28-propan-2-yl-1-oxa-4,7,10,13,
MOLECULAR FORMULA: C57H82N12O15
MOLECULAR WEIGHT: 1175.33238
SMILES: CCC(C)C(C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)/C(=C/C2=CNC3=CC=CC=C32)/NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)O)CO)C(C(C)C)O)CO)CCCN)CC4=CC=CC=C4)C(C)C)N
Structure:
CAS RN: 130940-73-7
CAS Name: (Z)-7-[(1R,2R,3R,4S)-3-[(4-hydroxy-3-iodanylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,4S)-3-[(4-hydroxy-3-iodanyl-phenyl)sulfonylamino]norbornan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,4S)-3-[(4-hydroxy-3-iodanylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,4S)-3-[(3-iodanyl-4-oxidanyl-phenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H26INO5S
MOLECULAR WEIGHT: 517.393764
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@@H]2NS(=O)(=O)C3=CC(=C(C=C3)O)[125I])C/C=C\CCCC(=O)O
Structure:
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