CAS RN: 103438-73-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H27NO3
MOLECULAR WEIGHT: 401.49748
SMILES: CC(C)(C)N(C1=CC2=C(C=C1)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)OC)OC)O
Structure:
CAS RN: 102363-08-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H15N3O6
MOLECULAR WEIGHT: 321.2854
SMILES: C1[C@@H]2[C@@H](N2)[C@]3([C@H](C4=C(N1O3)C=C(C=C4O)C=O)COC(=O)N)O
Structure:
CAS RN: 102332-89-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H10N3S+
MOLECULAR WEIGHT: 240.3036
SMILES: C1C2=CC=CC=[N+]2C3=NC4=CC=CC=C4N3S1
Structure:
CAS RN: 102069-16-9
CAS Name: [3-[[3-[1,2-bis(2-oxiranylmethyl)-3,5-dioxo-1,2,4-triazolidin-4-yl]-2-hydroxypropyl]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid
OPENEYE Name: [3-[[3-[1,2-bis(oxiran-2-ylmethyl)-3,5-dioxo-1,2,4-triazolidin-4-yl]-2-hydroxy-propyl]amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid
IUPAC Name: [3-[[3-[1,2-bis(oxiran-2-ylmethyl)-3,5-dioxo-1,2,4-triazolidin-4-yl]-2-hydroxypropyl]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid
SYSTEMATIC NAME: [3-[[3-[3,5-bis(oxidanylidene)-1,2-bis(oxiran-2-ylmethyl)-1,2,4-triazolidin-4-yl]-2-oxidanyl-propyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid
MOLECULAR FORMULA: C14H26N4O12P2
MOLECULAR WEIGHT: 504.323362
SMILES: C1C(O1)CN2C(=O)N(C(=O)N2CC3CO3)CC(CNCCC(O)(P(=O)(O)O)P(=O)(O)O)O
Structure:
CAS RN: 101527-46-2
CAS Name: 5-(difluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(difluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(difluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[bis(fluoranyl)methyl]-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H12F2N2O5
MOLECULAR WEIGHT: 278.209486
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)F)CO)O
Structure:
CAS RN: 101342-94-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H27NO9
MOLECULAR WEIGHT: 473.47248
SMILES: CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C45C6C(CC(=O)O6)OC(C4(C3=O)O5)C)O)N(C)C)O
Structure:
CAS RN: 101162-62-3
CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[(2S)-2-[[[(1S)-1-carboxy-2-hydroxyethyl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino
OPENEYE Name: (4S)-4-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]amino]-5-[[(1S)-2-[[(1S)-2-[[(1S)-3-carboxy-1-[[(1S)-2-[(2S)-2-[[(1S)-1-carboxy-2-hydroxy-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-[(4-sulfooxyphenyl)methyl]ethyl]carbamoyl]propyl]amino]-2
IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-1-oxobutan-2
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-(4-sulfooxyphenyl)propan-2-yl]amino
MOLECULAR FORMULA: C46H61N9O26S2
MOLECULAR WEIGHT: 1220.15124
SMILES: C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)N
Structure:
CAS RN: 125709-38-8
CAS Name: 3-hydroxy-3-phenyl-2,4-dihydropyrido[1,2-b]isoindol-6-one
OPENEYE Name: 3-hydroxy-3-phenyl-2,4-dihydropyrido[1,2-b]isoindol-6-one
IUPAC Name: 3-hydroxy-3-phenyl-2,4-dihydropyrido[1,2-b]isoindol-6-one
SYSTEMATIC NAME: 3-oxidanyl-3-phenyl-2,4-dihydropyrido[1,2-b]isoindol-6-one
MOLECULAR FORMULA: C18H15NO2
MOLECULAR WEIGHT: 277.3172
SMILES: C1C=C2C3=CC=CC=C3C(=O)N2CC1(C4=CC=CC=C4)O
Structure:
CAS RN: 125709-33-3
CAS Name: 3-phenyl-1-(3-pyridinyl)pyrrolidine-2,5-dione
OPENEYE Name: 3-phenyl-1-(3-pyridyl)pyrrolidine-2,5-dione
IUPAC Name: 3-phenyl-1-pyridin-3-ylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-phenyl-1-pyridin-3-yl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: C1C(C(=O)N(C1=O)C2=CN=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 125709-03-7
CAS Name: acetic acid [(8S,10S,13S,14S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(1-sulfanylideneethyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8S,10S,13S,14S)-17-ethanethioyl-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8S,10S,13S,14S)-17-ethanethioyl-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8S,10S,13S,14S)-17-ethanethioyl-6,9-bis(fluoranyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H30F2O4S
MOLECULAR WEIGHT: 452.554406
SMILES: CC1C[C@H]2[C@@H]3CC(C4=CC(=O)C=C[C@@]4(C3(C(C[C@@]2(C1(C(=S)C)OC(=O)C)C)O)F)C)F
Structure:
CAS RN: 94790-37-1
CAS Name: [1-benzotriazolyloxy(dimethylamino)methylidene]-dimethylammonium
OPENEYE Name: [benzotriazol-1-yloxy(dimethylamino)methylene]-dimethyl-ammonium
IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium
SYSTEMATIC NAME: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethyl-azanium
MOLECULAR FORMULA: C11H16N5O+
MOLECULAR WEIGHT: 234.27764
SMILES: CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1
Structure:
CAS RN: 125700-47-2
CAS Name: (2R)-2-[[(2,2-dimethyl-1-oxopropyl)amino]methylamino]-3-mercaptopropanoic acid
OPENEYE Name: (2R)-2-[(2,2-dimethylpropanoylamino)methylamino]-3-sulfanyl-propanoic acid
IUPAC Name: (2R)-2-[(2,2-dimethylpropanoylamino)methylamino]-3-sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-[(2,2-dimethylpropanoylamino)methylamino]-3-sulfanyl-propanoic acid
MOLECULAR FORMULA: C9H18N2O3S
MOLECULAR WEIGHT: 234.31582
SMILES: CC(C)(C)C(=O)NCN[C@@H](CS)C(=O)O
Structure:
CAS RN: 125699-00-5
CAS Name: (2R,3R,4S)-6,6,6-trifluoro-2,3,4,5-tetrahydroxyhexanethial
OPENEYE Name: (2R,3R,4S)-6,6,6-trifluoro-2,3,4,5-tetrahydroxy-hexanethial
IUPAC Name: (2R,3R,4S)-6,6,6-trifluoro-2,3,4,5-tetrahydroxyhexanethial
SYSTEMATIC NAME: (2R,3R,4S)-6,6,6-tris(fluoranyl)-2,3,4,5-tetrakis(oxidanyl)hexanethial
MOLECULAR FORMULA: C6H9F3O4S
MOLECULAR WEIGHT: 234.19347
SMILES: C(=S)[C@@H]([C@@H]([C@@H](C(C(F)(F)F)O)O)O)O
Structure:
CAS RN: 125678-68-4
CAS Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-1-oxo-2-(1-oxotetradecylamino)hexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-(tetradecanoylamino)hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-(tetradecanoylamino)hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-azanyl-2-(tetradecanoylamino)hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C42H82N12O8
MOLECULAR WEIGHT: 883.17608
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 125658-50-6
CAS Name: (2S)-1-(1-oxoprop-2-enyl)-2-pyrrolidinecarboxylic acid methyl ester
OPENEYE Name: methyl (2S)-1-prop-2-enoylpyrrolidine-2-carboxylate
IUPAC Name: methyl (2S)-1-prop-2-enoylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: methyl (2S)-1-prop-2-enoylpyrrolidine-2-carboxylate
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: COC(=O)[C@@H]1CCCN1C(=O)C=C
Structure:
CAS RN: 125652-47-3
CAS Name: 1-[4-[2-(4-chlorophenyl)propan-2-yl]-2-methoxyphenyl]-1,2,4-triazole-3-carboxamide
OPENEYE Name: 1-[4-[1-(4-chlorophenyl)-1-methyl-ethyl]-2-methoxy-phenyl]-1,2,4-triazole-3-carboxamide
IUPAC Name: 1-[4-[2-(4-chlorophenyl)propan-2-yl]-2-methoxyphenyl]-1,2,4-triazole-3-carboxamide
SYSTEMATIC NAME: 1-[4-[2-(4-chlorophenyl)propan-2-yl]-2-methoxy-phenyl]-1,2,4-triazole-3-carboxamide
MOLECULAR FORMULA: C19H19ClN4O2
MOLECULAR WEIGHT: 370.83276
SMILES: CC(C)(C1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)N3C=NC(=N3)C(=O)N)OC
Structure:
CAS RN: 125652-17-7
CAS Name: 1,3,8-trichloro-6-nitrodibenzofuran
OPENEYE Name: 1,3,8-trichloro-6-nitro-dibenzofuran
IUPAC Name: 1,3,8-trichloro-6-nitrodibenzofuran
SYSTEMATIC NAME: 1,3,8-tris(chloranyl)-6-nitro-dibenzofuran
MOLECULAR FORMULA: C12H4Cl3NO3
MOLECULAR WEIGHT: 316.52406
SMILES: C1=C(C=C2C3=C(C=C(C=C3OC2=C1[N+](=O)[O-])Cl)Cl)Cl
Structure:
CAS RN: 125652-15-5
CAS Name: 1,3,8-trichloro-6-cyclohexyldibenzofuran
OPENEYE Name: 1,3,8-trichloro-6-cyclohexyl-dibenzofuran
IUPAC Name: 1,3,8-trichloro-6-cyclohexyldibenzofuran
SYSTEMATIC NAME: 1,3,8-tris(chloranyl)-6-cyclohexyl-dibenzofuran
MOLECULAR FORMULA: C18H15Cl3O
MOLECULAR WEIGHT: 353.6701
SMILES: C1CCC(CC1)C2=C3C(=CC(=C2)Cl)C4=C(C=C(C=C4O3)Cl)Cl
Structure:
CAS RN: 125652-12-2
CAS Name: 6-tert-butyl-1,3,8-trichlorodibenzofuran
OPENEYE Name: 6-tert-butyl-1,3,8-trichloro-dibenzofuran
IUPAC Name: 6-tert-butyl-1,3,8-trichlorodibenzofuran
SYSTEMATIC NAME: 6-tert-butyl-1,3,8-tris(chloranyl)dibenzofuran
MOLECULAR FORMULA: C16H13Cl3O
MOLECULAR WEIGHT: 327.63282
SMILES: CC(C)(C)C1=C2C(=CC(=C1)Cl)C3=C(C=C(C=C3O2)Cl)Cl
Structure:
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