CAS RN: 81545-42-8
CAS Name: 3-[[15-[(E)-10-[[amino(methylimino)methyl]amino]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[[3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E)-1-methyl-9-[(N'-methylcarbamimidoyl)amino]non-5-enyl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxo-propanoic acid
IUPAC Name: 3-[[3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[[10,14,18,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C56H95N3O17
MOLECULAR WEIGHT: 1082.3634
SMILES: CC1CCC(C(C(CC(C(C=CC=C(C(=O)OC(C(C=CC=C(C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)O)OC(=O)CC(=O)O)O)O)C)C)C(C)CCC/C=C/CCCNC(=NC)N)C)C)O)O)C)O
Structure:
CAS RN: 81482-43-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H37NO7
MOLECULAR WEIGHT: 499.59588
SMILES: CC[C@@H]1[C@@H](/C=C(\C23[C@@H](C[C@@H](C(=O)O1)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)OC(=O)C5=CC=CN5)C)O)/C)C
Structure:
CAS RN: 80367-88-0
CAS Name: 3-[(2E,5E)-5-[[4-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-2-[(4-ethenyl-3-methyl-5-oxo-2-pyrrolyl)-phenylmethylidene]-4-methyl-3-pyrrolyl]propanoic acid
OPENEYE Name: 3-[(2E,5E)-5-[[4-(2-carboxyethyl)-3-methyl-5-[(E)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methylene]-4-methyl-2-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-yl)-phenyl-methylene]pyrrol-3-yl]propanoic acid
IUPAC Name: 3-[(2E,5E)-5-[[4-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-2-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)-phenylmethylidene]-4-methylpyrrol-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[(2E,5E)-5-[[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-(3-hydroxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-2-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)-phenyl-methylidene]-4-methyl-pyrrol-3-yl]propanoic acid
MOLECULAR FORMULA: C39H38N4O6
MOLECULAR WEIGHT: 658.74222
SMILES: CC\1=C(/C(=C(/C2=CC=CC=C2)\C3=NC(=O)C(=C3C)C=C)/N/C1=C/C4=C(C(=C(N4)/C=C/5\C(=C(C(=O)N5)C=C)C)CCC(=O)O)C)CCC(=O)O
Structure:
CAS RN: 80134-56-1
CAS Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenyl] dihydrogen phosphate
OPENEYE Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenyl] dihydrogen phosphate
IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenyl] dihydrogen phosphate
MOLECULAR FORMULA: C20H31O5P
MOLECULAR WEIGHT: 382.430901
SMILES: C/C(=C\COP(=O)(O)O)/C=C/C=C(\C)/C=C/C12C(CCCC1(O2)C)(C)C
Structure:
CAS RN: 79774-99-5
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(Z,2S)-5-amino-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[[(2S)-1-[[(2S)-5-amino-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopent-3
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-1-[[(Z,1S)-4-amino-1-[[(1S)-1-[[(1R)-2-[(2S)-2-[[(1S)-2-[[(1S)-4-amino-1-formyl-butyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]but-2-enyl]carbamoyl]-2-methyl-prop
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(Z,2S)-5-amino-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopent-3-en-2-yl
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(Z,2S)-5-azanyl-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-azanyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidan
MOLECULAR FORMULA: C62H90Cl2N14O13
MOLECULAR WEIGHT: 1310.37
SMILES: CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCN)C=O)NC(=O)[C@H](/C=C\CN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N.Cl.Cl
Structure:
CAS RN: 79495-87-7
CAS Name: (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6-hydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
OPENEYE Name: (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6-hydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
IUPAC Name: (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6-hydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SYSTEMATIC NAME: (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-5,7,9,15-tetramethyl-6-oxidanyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 348.47638
SMILES: CC[C@@H]1[C@H](/C=C\C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C\C(=O)O1)C)O)C)C)C
Structure:
CAS RN: 79319-94-1
CAS Name: (Z)-6-[(1R,3R,5S)-3,5-dihydroxy-2-[(1E,5E,8Z)-3-hydroxyundeca-1,5,8-trienyl]cyclopentyl]-4-hexenoic acid
OPENEYE Name: (Z)-6-[(1R,3R,5S)-3,5-dihydroxy-2-[(1E,5E,8Z)-3-hydroxyundeca-1,5,8-trienyl]cyclopentyl]hex-4-enoic acid
IUPAC Name: (Z)-6-[(1R,3R,5S)-3,5-dihydroxy-2-[(1E,5E,8Z)-3-hydroxyundeca-1,5,8-trienyl]cyclopentyl]hex-4-enoic acid
SYSTEMATIC NAME: (Z)-6-[(1R,3R,5S)-3,5-bis(oxidanyl)-2-[(1E,5E,8Z)-3-oxidanylundeca-1,5,8-trienyl]cyclopentyl]hex-4-enoic acid
MOLECULAR FORMULA: C22H34O5
MOLECULAR WEIGHT: 378.50236
SMILES: CC/C=C\C/C=C/CC(/C=C/C1[C@@H](C[C@@H]([C@@H]1C/C=C\CCC(=O)O)O)O)O
Structure:
CAS RN: 78740-70-2
CAS Name: (11E,13Z)-6-[[4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl)oxymethyl]-5,7,9,13-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
OPENEYE Name: (11E,13Z)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-5,7,9,13-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
IUPAC Name: (11E,13Z)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,7,9,13-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SYSTEMATIC NAME: (11E,13Z)-15-[(3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,7,9,13-tetramethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
MOLECULAR FORMULA: C38H65NO13
MOLECULAR WEIGHT: 743.9216
SMILES: CCC1C(/C=C(\C=C\C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)C)C)/C)COC3C(C(C(C(O3)C)O)OC)OC
Structure:
CAS RN: 78609-64-0
CAS Name: (1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylene-1-cyclohexanol
OPENEYE Name: (1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-fluoro-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylene-cyclohexanol
IUPAC Name: (1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-fluoro-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-fluoranyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-fluoranyl-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C27H42F2O
MOLECULAR WEIGHT: 420.618586
SMILES: C[C@H](CCCC(C)(C)F)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)F)O)C
Structure:
CAS RN: 78543-24-5
CAS Name: 5-benzamido-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid
OPENEYE Name: 5-benzamido-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid
IUPAC Name: 5-benzamido-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-benzamido-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C22H16N2O7S3
MOLECULAR WEIGHT: 516.56664
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N=C=S)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 78307-41-2
CAS Name: (E)-3-(3-ethyl-2-oxiranyl)-2-propenal
OPENEYE Name: (E)-3-(3-ethyloxiran-2-yl)prop-2-enal
IUPAC Name: (E)-3-(3-ethyloxiran-2-yl)prop-2-enal
SYSTEMATIC NAME: (E)-3-(3-ethyloxiran-2-yl)prop-2-enal
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: CCC1C(O1)/C=C/C=O
Structure:
CAS RN: 78138-59-7
CAS Name: acetic acid [(3aS,5S,6R,7S,7aS)-7-[(E)-but-2-enoxy]-2-methyl-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-6-yl] ester
OPENEYE Name: [(3aS,5S,6R,7S,7aS)-5-(benzyloxymethyl)-7-[(E)-but-2-enoxy]-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-6-yl] acetate
IUPAC Name: [(3aS,5S,6R,7S,7aS)-7-[(E)-but-2-enoxy]-2-methyl-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl] acetate
SYSTEMATIC NAME: [(3aS,5S,6R,7S,7aS)-7-[(E)-but-2-enoxy]-2-methyl-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6-yl] ethanoate
MOLECULAR FORMULA: C21H27NO6
MOLECULAR WEIGHT: 389.44218
SMILES: C/C=C/CO[C@H]1[C@H]2[C@@H](O[C@H]([C@@H]1OC(=O)C)COCC3=CC=CC=C3)OC(=N2)C
Structure:
CAS RN: 77717-05-6
CAS Name: (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
OPENEYE Name: (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
IUPAC Name: (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-6,15-dihydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SYSTEMATIC NAME: (3Z,5S,6S,7S,9R,11Z,13Z,15S,16R)-16-ethyl-15-(hydroxymethyl)-5,7,9-trimethyl-6,15-bis(oxidanyl)-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
MOLECULAR FORMULA: C21H32O6
MOLECULAR WEIGHT: 380.47518
SMILES: CC[C@@H]1[C@](/C=C\C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C\C(=O)O1)C)O)C)C)(CO)O
Structure:
CAS RN: 77704-61-1
CAS Name: (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
OPENEYE Name: (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
IUPAC Name: (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SYSTEMATIC NAME: (3Z,5S,6S,7S,9R,11Z,13Z,15R,16R)-16-ethyl-15-(hydroxymethyl)-5,7,9-trimethyl-6-oxidanyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
MOLECULAR FORMULA: C21H32O5
MOLECULAR WEIGHT: 364.47578
SMILES: CC[C@@H]1[C@H](/C=C\C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C\C(=O)O1)C)O)C)C)CO
Structure:
CAS RN: 77673-48-4
CAS Name: 4-[(4Z)-4-[(E,4Z)-4-(4-oxo-3-propyl-2-sulfanylidene-5-thiazolidinylidene)but-2-enylidene]-1-quinolinyl]-1-butanesulfonic acid
OPENEYE Name: 4-[(4Z)-4-[(E,4Z)-4-(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene)but-2-enylidene]-1-quinolyl]butane-1-sulfonic acid
IUPAC Name: 4-[(4Z)-4-[(E,4Z)-4-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]butane-1-sulfonic acid
SYSTEMATIC NAME: 4-[(4Z)-4-[(E,4Z)-4-(4-oxidanylidene-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-enylidene]quinolin-1-yl]butane-1-sulfonic acid
MOLECULAR FORMULA: C23H26N2O4S3
MOLECULAR WEIGHT: 490.65854
SMILES: CCCN1C(=O)/C(=C/C=C/C=C\2/C=CN(C3=CC=CC=C23)CCCCS(=O)(=O)O)/SC1=S
Structure:
CAS RN: 77372-59-9
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6,7-dihydroxy-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,5S)-5,6-dihydroxy-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,6S)-6,7-dihydroxy-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)-7a-methyl-1-[(2R,6S)-6-methyl-6,7-bis(oxidanyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@H](CCC[C@@](C)(CO)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:
CAS RN: 77184-03-3
CAS Name: (2R)-2-(1-naphthalenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine
OPENEYE Name: (2R)-1-[(E)-cinnamyl]-2-(1-naphthyl)piperidine
IUPAC Name: (2R)-2-naphthalen-1-yl-1-[(E)-3-phenylprop-2-enyl]piperidine
SYSTEMATIC NAME: (2R)-2-naphthalen-1-yl-1-[(E)-3-phenylprop-2-enyl]piperidine
MOLECULAR FORMULA: C24H25N
MOLECULAR WEIGHT: 327.462
SMILES: C1CCN([C@H](C1)C2=CC=CC3=CC=CC=C32)C/C=C/C4=CC=CC=C4
Structure:
CAS RN: 77179-33-0
CAS Name: (E)-2,6-dimethyl-8-(3-methyl-1,4-dioxo-2-naphthalenyl)-6-octenoic acid
OPENEYE Name: (E)-2,6-dimethyl-8-(3-methyl-1,4-dioxo-2-naphthyl)oct-6-enoic acid
IUPAC Name: (E)-2,6-dimethyl-8-(3-methyl-1,4-dioxonaphthalen-2-yl)oct-6-enoic acid
SYSTEMATIC NAME: (E)-2,6-dimethyl-8-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]oct-6-enoic acid
MOLECULAR FORMULA: C21H24O4
MOLECULAR WEIGHT: 340.41286
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCCC(C)C(=O)O
Structure:
CAS RN: 76971-20-5
CAS Name: 3-[(Z)-octadec-11-enoxy]propane-1,2-diol
OPENEYE Name: 3-[(Z)-octadec-11-enoxy]propane-1,2-diol
IUPAC Name: 3-[(Z)-octadec-11-enoxy]propane-1,2-diol
SYSTEMATIC NAME: 3-[(Z)-octadec-11-enoxy]propane-1,2-diol
MOLECULAR FORMULA: C21H42O3
MOLECULAR WEIGHT: 342.55638
SMILES: CCCCCC/C=C\CCCCCCCCCCOCC(CO)O
Structure:
CAS RN: 76716-82-0
CAS Name: (E)-2-butenedioic acid; N-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]acetamide
OPENEYE Name: fumaric acid; N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]acetamide
IUPAC Name: (E)-but-2-enedioic acid; N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]acetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]ethanamide
MOLECULAR FORMULA: C19H24F3N3O5
MOLECULAR WEIGHT: 431.40617
SMILES: CC(=O)NCCN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 76448-36-7
CAS Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-benzoquinone
IUPAC Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: CC1=C(C(=O)C=CC1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Structure:
CAS RN: 76355-23-2
CAS Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,3-triol
OPENEYE Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-1,2,3-triol
IUPAC Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,3-triol
SYSTEMATIC NAME: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5R)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-1,2,3-triol
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@H](CCC(C(C)(CO)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:
CAS RN: 76280-44-9
CAS Name: [(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene
OPENEYE Name: [(E)-2-phenyl-1-(trifluoromethyl)vinyl]benzene
IUPAC Name: [(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]benzene
SYSTEMATIC NAME: [(E)-3,3,3-tris(fluoranyl)-1-phenyl-prop-1-en-2-yl]benzene
MOLECULAR FORMULA: C15H11F3
MOLECULAR WEIGHT: 248.24305
SMILES: C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(F)(F)F
Structure:
CAS RN: 76265-48-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H34O7
MOLECULAR WEIGHT: 422.51186
SMILES: C[C@@H]1/C=C(\C23[C@@H](C[C@@H](C(=O)OC1[C@@H](C)O)OC)C=C[C@@H]4[C@H]2[C@@H]([C@H]([C@H]([C@@H]4O3)O)C)O)/C
Structure:
CAS RN: 76123-48-3
CAS Name: 3-[(2R,3S,4S,6R)-4,6-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]-3-oxanyl]propanoic acid
OPENEYE Name: 3-[(2R,3S,4S,6R)-4,6-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]tetrahydropyran-3-yl]propanoic acid
IUPAC Name: 3-[(2R,3S,4S,6R)-4,6-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[(2R,3S,4S,6R)-4,6-bis(oxidanyl)-2-[(E)-3-oxidanyloct-1-enyl]oxan-3-yl]propanoic acid
MOLECULAR FORMULA: C16H28O6
MOLECULAR WEIGHT: 316.38992
SMILES: CCCCCC(/C=C/[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)CCC(=O)O)O
Structure:
CAS RN: 76109-04-1
CAS Name: (E)-3-phenyl-2-propenethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester
OPENEYE Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-phenylprop-2-enethioate
IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-phenylprop-2-enethioate
SYSTEMATIC NAME: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-3-phenylprop-2-enethioate
MOLECULAR FORMULA: C30H42N7O17P3S
MOLECULAR WEIGHT: 897.677463
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=CC=C4)O
Structure:
CAS RN: 76080-85-8
CAS Name: (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal
OPENEYE Name: (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal
IUPAC Name: (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2Z,4Z,6Z,8Z)-9-cyclohexylnona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C15H20O
MOLECULAR WEIGHT: 216.3187
SMILES: C1CCC(CC1)/C=C\C=C/C=C\C=C/C=O
Structure:
CAS RN: 76079-06-6
CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-1-oxopropyl]amino]pentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]propanoyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoyl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoyl]amino]pentanoic acid
MOLECULAR FORMULA: C16H23N5O5
MOLECULAR WEIGHT: 365.38432
SMILES: C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)/C=C/C1=CC=CO1
Structure:
CAS RN: 76020-77-4
CAS Name: (2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-(5-hydroxy-2-methylenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[(E,2S,5R)-5-[(1R,4E,7aR)-4-[(2Z)-2-(5-hydroxy-2-methylene-cyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1,1,2-trimethyl-hex-3-enoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-(2-methylidene-5-oxidanyl-cyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethyl-hept-4-en-2-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C34H52O8
MOLECULAR WEIGHT: 588.77188
SMILES: C[C@H](/C=C/[C@H](C)C(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CCC\3[C@@]2(CCC/C3=C\C=C/4\CC(CCC4=C)O)C
Structure:
CAS RN: 75979-94-1
CAS Name: (3Z,6R,9R,12R,14S)-9,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-3-ene-2,8,11-trione
OPENEYE Name: (3Z,6R,9R,12R,14S)-9,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-3-ene-2,8,11-trione
IUPAC Name: (3Z,6R,9R,12R,14S)-9,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradec-3-ene-2,8,11-trione
SYSTEMATIC NAME: (3Z,6R,9R,12R,14S)-6,14-dimethyl-9,12-bis(oxidanyl)-1,7-dioxacyclotetradec-3-ene-2,8,11-trione
MOLECULAR FORMULA: C14H20O7
MOLECULAR WEIGHT: 300.3044
SMILES: C[C@@H]1C/C=C\C(=O)O[C@H](C[C@H](C(=O)C[C@H](C(=O)O1)O)O)C
Structure:
CAS RN: 75946-87-1
CAS Name: 6-[(2Z)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cycloheptane-1,4-diol
OPENEYE Name: 6-[(2Z)-2-[1-(1,5-dimethylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cycloheptane-1,4-diol
IUPAC Name: 6-[(2Z)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cycloheptane-1,4-diol
SYSTEMATIC NAME: 6-[(2Z)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cycloheptane-1,4-diol
MOLECULAR FORMULA: C27H46O2
MOLECULAR WEIGHT: 402.65294
SMILES: CC(C)CCCC(C)C1CCC\2C1(CCC/C2=C/C=C3CC(CCC(C3)O)O)C
Structure:
CAS RN: 137606-56-5
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-1-cyclohex-3-enyl]oxy]-2-oxanyl]methoxy]oxane-3,4,5-triol
OPENEYE Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl]oxy-tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(oxidanyl)-6-[3,5,5-trimethyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohex-3-en-1-yl]oxy-oxan-2-yl]methoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C25H42O12
MOLECULAR WEIGHT: 534.59378
SMILES: CC1=C(C(CC(C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)(C)C)/C=C/C(C)O
Structure:
CAS RN: 137476-73-4
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-N-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]prop-1-en-2-yl]-3-methylbutanamide
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-N-[(Z)-2-(4-hydroxyphenyl)-1-[[2-oxo-2-(2-oxoethylamino)ethyl]carbamoyl]vinyl]-3-methyl-butanamide
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-N-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-[[2-oxo-2-(2-oxoethylamino)ethyl]amino]prop-1-en-2-yl]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]-N-[(Z)-1-(4-hydroxyphenyl)-3-oxidanylidene-3-[[2-oxidanylidene-2-(2-oxidanylideneethylamino)ethyl]amino]prop-1-en-2-yl]-3-methyl-butanamide
MOLECULAR FORMULA: C24H34N6O7
MOLECULAR WEIGHT: 518.56276
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N/C(=C\C1=CC=C(C=C1)O)/C(=O)NCC(=O)NCC=O)N
Structure:
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