CAS RN: 159496-13-6
CAS Name: (2R,3R,4S,5R)-2-(6-amino-4,5-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-(6-amino-4,5-dihydropurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-4,5-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-(6-azanyl-4,5-dihydropurin-9-yl)-5-(oxidanylmethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H15N5O4
MOLECULAR WEIGHT: 274.220474
SMILES: C1=NC2C(C(=N1)N)N=CN2[13C@H]3[13C@@H]([13C@@H]([13C@H](O3)[13CH2]O)O)O
CAS RN: 71995-66-9
CAS Name: (8R,9S,10R,13S,14S)-13-methyl-10-(trideuteriomethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8R,9S,10R,13S,14S)-13-methyl-10-(trideuteriomethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8R,9S,10R,13S,14S)-13-methyl-10-(trideuteriomethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-13-methyl-10-(trideuteriomethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 289.427025
SMILES: [2H]C([2H])([2H])[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
CAS RN: 67034-85-9
CAS Name: (8R,9S,10R,13S,14S)-2,2,4,6,6,16,16-heptadeuterio-10,13-dimethyl-1,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8R,9S,10R,13S,14S)-2,2,4,6,6,16,16-heptadeuterio-10,13-dimethyl-1,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8R,9S,10R,13S,14S)-2,2,4,6,6,16,16-heptadeuterio-10,13-dimethyl-1,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-2,2,4,6,6,16,16-heptadeuterio-10,13-dimethyl-1,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 293.451672
SMILES: [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC(C4=O)([2H])[2H])C)C
CAS RN: 67034-85-9
CAS Name: (1S,8R,9S,10R,13S,14S)-1,2,2,4,6,6,16,16-octadeuterio-10,13-dimethyl-1,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (1S,8R,9S,10R,13S,14S)-1,2,2,4,6,6,16,16-octadeuterio-10,13-dimethyl-1,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (1S,8R,9S,10R,13S,14S)-1,2,2,4,6,6,16,16-octadeuterio-10,13-dimethyl-1,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (1S,8R,9S,10R,13S,14S)-1,2,2,4,6,6,16,16-octadeuterio-10,13-dimethyl-1,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 294.457834
SMILES: [H][C@]1([C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC(C2=C(C(=O)C1([2H])[2H])[2H])([2H])[2H])CC(C4=O)([2H])[2H])C)C)[2H]
CAS RN: 1046116-27-1
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-methoxy-3,3-bis(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
OPENEYE Name: 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-bis(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-bis(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-bis(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
MOLECULAR FORMULA: C22H22N2O4
MOLECULAR WEIGHT: 388.482698
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])(C(C(=O)O)OC3=NC(=CC(=N3)C)C)OC)[2H])[2H]
CAS RN: 117772-70-0
CAS Name: (2R,3S,4R,5R,8R,11R,12S,13S,14R)-11-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-13-[[(2R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one dih
OPENEYE Name: (2R,3S,4R,5R,8R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclop
IUPAC Name: (2R,3S,4R,5R,8R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one dihydra
SYSTEMATIC NAME: (2R,3S,4R,5R,8R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-13-[(2R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-1-oxa-6-azacyclopentadecan-15-one
MOLECULAR FORMULA: C38H76N2O14
MOLECULAR WEIGHT: 785.01504
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](CC([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2CC([C@H]([C@@H](O2)C)O)(C)OC)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O.O.O
CAS RN: 1225580-94-8
CAS Name: calcium 3-[(2,2,2-trideuterio-1-oxoethyl)amino]-1-propanesulfonate
OPENEYE Name: calcium 3-[(2,2,2-trideuterioacetyl)amino]propane-1-sulfonate
IUPAC Name: calcium 3-[(2,2,2-trideuterioacetyl)amino]propane-1-sulfonate
SYSTEMATIC NAME: calcium 3-(2,2,2-trideuterioethanoylamino)propane-1-sulfonate
MOLECULAR FORMULA: C5H10CaNO4S+
MOLECULAR WEIGHT: 223.298685
SMILES: [2H]C([2H])([2H])C(=O)NCCCS(=O)(=O)[O-].[Ca+2]
CAS RN: 88495-63-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28O8
MOLECULAR WEIGHT: 384.42082
SMILES: C[C@@H]1CCC2[C@H](C(OC3[C@@]24C1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C
CAS RN: 255730-18-8
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H31NO6S
MOLECULAR WEIGHT: 401.51754
SMILES: C[C@@H]1CCC2[C@H]([C@@H](OC3[C@@]24C1CC[C@](O3)(OO4)C)N5CCS(=O)(=O)CC5)C
CAS RN: 71939-51-0
CAS Name:
OPENEYE Name:
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MOLECULAR FORMULA: C16H26O5
MOLECULAR WEIGHT: 298.37464
SMILES: C[C@@H]1CCC2[C@H]([C@@H](OC3[C@@]24C1CC[C@](O3)(OO4)C)OC)C
CAS RN: 93787-85-0
CAS Name:
OPENEYE Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H26O5
MOLECULAR WEIGHT: 301.393125
SMILES: [2H]C([2H])([2H])O[C@@H]1[C@@H](C2CC[C@H](C3[C@]24C(O1)O[C@@](CC3)(OO4)C)C)C
CAS RN: 93787-85-0
CAS Name:
OPENEYE Name:
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MOLECULAR FORMULA: C16H26O5
MOLECULAR WEIGHT: 298.37464
SMILES: C[C@@H]1CCC2[C@H]([C@H](OC3[C@@]24C1CC[C@](O3)(OO4)C)OC)C
CAS RN: 176774-98-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24O5
MOLECULAR WEIGHT: 287.366545
SMILES: [2H]C([2H])([2H])[C@@H]1C2CC[C@H](C3[C@]24C(OC1O)O[C@@](CC3)(OO4)C)C
CAS RN: 71939-50-9
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24O5
MOLECULAR WEIGHT: 284.34806
SMILES: C[C@@H]1CCC2[C@H](C(OC3[C@@]24C1CC[C@](O3)(OO4)C)O)C
CAS RN: 176652-07-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 285.350665
SMILES: [2H]C([2H])([2H])[C@@H]1C2CC[C@H](C3[C@]24C(OC1=O)O[C@@](CC3)(OO4)C)C
CAS RN: 129385-60-0
CAS Name:
OPENEYE Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12ClNO
MOLECULAR WEIGHT: 281.73628
SMILES: CN1C=C2C3=CC=CC=C3OC4=C(C2=C1)C=C(C=C4)Cl
CAS RN: 265989-45-5
CAS Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyanilino)-oxomethyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoate
OPENEYE Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-5-isopropyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoate
IUPAC Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
SYSTEMATIC NAME: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate
MOLECULAR FORMULA: C33H34CaFN2O6+
MOLECULAR WEIGHT: 618.740072
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=C(C=C3)O)C(C)C)CC[C@@H](C[C@@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F)[2H])[2H].[Ca+2]
CAS RN: 214217-88-6
CAS Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyanilino)-oxomethyl]-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid
OPENEYE Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-5-isopropyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid
IUPAC Name: (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
SYSTEMATIC NAME: (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoic acid
MOLECULAR FORMULA: C33H35FN2O6
MOLECULAR WEIGHT: 574.639203
SMILES: CC(C)C1=C(C(=C(N1CC[C@@H](C[C@@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O
CAS RN: 265989-44-4
CAS Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyanilino)-oxomethyl]-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoate
OPENEYE Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-5-isopropyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoate
IUPAC Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
SYSTEMATIC NAME: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate
MOLECULAR FORMULA: C33H34CaFN2O6+
MOLECULAR WEIGHT: 613.709263
SMILES: CC(C)C1=C(C(=C(N1CC[C@@H](C[C@@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O.[Ca+2]
CAS RN: 265989-47-7
CAS Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyanilino)-oxomethyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoate
OPENEYE Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-isopropyl-3-(2,3,4,5,6-pentadeuteriophenyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoate
IUPAC Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
SYSTEMATIC NAME: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate
MOLECULAR FORMULA: C33H34CaFN2O6+
MOLECULAR WEIGHT: 618.740072
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3O)C(C)C)CC[C@@H](C[C@@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F)[2H])[2H].[Ca+2]
CAS RN: 265989-46-6
CAS Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyanilino)-oxomethyl]-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoate
OPENEYE Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-isopropyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoate
IUPAC Name: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
SYSTEMATIC NAME: calcium (3S,5S)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate
MOLECULAR FORMULA: C33H34CaFN2O6+
MOLECULAR WEIGHT: 613.709263
SMILES: CC(C)C1=C(C(=C(N1CC[C@@H](C[C@@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4O.[Ca+2]
CAS RN: 265989-48-8
CAS Name: 5-(4-fluorophenyl)-1-[2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-2-propan-2-yl-3-pyrrolecarboxamide
OPENEYE Name: 5-(4-fluorophenyl)-1-[2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-2-isopropyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-pyrrole-3-carboxamide
IUPAC Name: 5-(4-fluorophenyl)-1-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-2-propan-2-ylpyrrole-3-carboxamide
SYSTEMATIC NAME: 5-(4-fluorophenyl)-1-[2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-2-propan-2-yl-pyrrole-3-carboxamide
MOLECULAR FORMULA: C33H33FN2O4
MOLECULAR WEIGHT: 545.655332
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H]4C[C@H](CC(=O)O4)O)C5=CC=C(C=C5)F)[2H])[2H]
CAS RN: 222412-87-5
CAS Name: sodium (3S,5S)-7-[4-[anilino(oxo)methyl]-2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoate
OPENEYE Name: sodium (3S,5S)-7-[2-(4-fluorophenyl)-5-isopropyl-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoate
IUPAC Name: sodium (3S,5S)-7-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
SYSTEMATIC NAME: sodium (3S,5S)-7-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate
MOLECULAR FORMULA: C33H34FN2NaO5
MOLECULAR WEIGHT: 585.652442
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@@H](C[C@@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F)[2H])[2H].[Na+]
CAS RN: 110220-55-8
CAS Name: O-(trideuteriomethyl)hydroxylamine hydrochloride
OPENEYE Name: O-(trideuteriomethyl)hydroxylamine hydrochloride
IUPAC Name: O-(trideuteriomethyl)hydroxylamine hydrochloride
SYSTEMATIC NAME: O-(trideuteriomethyl)hydroxylamine hydrochloride
MOLECULAR FORMULA: CH6ClNO
MOLECULAR WEIGHT: 86.535925
SMILES: [2H]C([2H])([2H])ON.Cl
CAS RN: 104145-95-1
CAS Name: (7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(Z)-2-(4-methylthiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C19H18N6O5S3
MOLECULAR WEIGHT: 506.57842
SMILES: CC1=C(SC=N1)/C=C\C2=C(N3C([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O
CAS RN: 117467-28-4
CAS Name: (7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[(Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(Z)-2-(4-methylthiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C25H28N6O7S3
MOLECULAR WEIGHT: 620.72082
SMILES: CC1=C(SC=N1)/C=C\C2=C(N3C([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C
CAS RN: 239466-86-5
CAS Name: (2S)-2-amino-3-[[(3Z)-3-(carboxymethylidene)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-piperidinyl]disulfanyl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[[(3Z)-3-(carboxymethylene)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-piperidyl]disulfanyl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[[(3Z)-3-(carboxymethylidene)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-4-yl]disulfanyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-3-(2-oxidanyl-2-oxidanylidene-ethylidene)piperidin-4-yl]disulfanyl]propanoic acid
MOLECULAR FORMULA: C21H25FN2O5S2
MOLECULAR WEIGHT: 468.562003
SMILES: C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C(=O)O)/C3)SSC[C@H](C(=O)O)N
CAS RN: 101314-97-0
CAS Name: sodium (3R,5S)-7-[(1R,2R,6S,8S)-8-(2,2-dimethyl-1-oxobutoxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
OPENEYE Name: sodium (3R,5S)-7-[(1R,2R,6S,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoate
IUPAC Name: sodium (3R,5S)-7-[(1R,2R,6S,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
SYSTEMATIC NAME: sodium (3R,5S)-7-[(1R,2R,6S,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoate
MOLECULAR FORMULA: C25H39NaO6
MOLECULAR WEIGHT: 458.56333
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@@H](C=C2C1[C@@H]([C@@H](C=C2)C)CC[C@@H](C[C@H](CC(=O)[O-])O)O)C.[Na+]
CAS RN: 139893-43-9
CAS Name: ammonia; (3R,5S)-7-[(1R,2R,6S,8S)-8-(2,2-dimethyl-1-oxobutoxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
OPENEYE Name: ammonia; (3R,5S)-7-[(1R,2R,6S,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
IUPAC Name: azane; (3R,5S)-7-[(1R,2R,6S,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
SYSTEMATIC NAME: azane; (3R,5S)-7-[(1R,2R,6S,8S)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid
MOLECULAR FORMULA: C25H43NO6
MOLECULAR WEIGHT: 453.61202
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@@H](C=C2C1[C@@H]([C@@H](C=C2)C)CC[C@@H](C[C@H](CC(=O)O)O)O)C.N
CAS RN: 139893-43-9
CAS Name: ammonia; (3R,5S)-7-[(1R,2R,6S,8S)-2,6-dimethyl-8-[1-oxo-2,2-bis(trideuteriomethyl)butoxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
OPENEYE Name: ammonia; (3R,5S)-7-[(1R,2R,6S,8S)-8-[2,2-bis(trideuteriomethyl)butanoyloxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
IUPAC Name: azane; (3R,5S)-7-[(1R,2R,6S,8S)-8-[2,2-bis(trideuteriomethyl)butanoyloxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
SYSTEMATIC NAME: azane; (3R,5S)-7-[(1R,2R,6S,8S)-8-[2,2-bis(trideuteriomethyl)butanoyloxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid
MOLECULAR FORMULA: C25H43NO6
MOLECULAR WEIGHT: 459.648991
SMILES: [2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C=C2C1[C@@H]([C@@H](C=C2)C)CC[C@@H](C[C@H](CC(=O)O)O)O)C)C([2H])([2H])[2H].N
CAS RN: 31528-44-6
CAS Name: (2S,3S,4S,5R)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R)-6-[[5-[(E)-5-carboxy-3-methyl-pent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-4-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R)-6-[[6-methoxy-7-methyl-5-[(E)-3-methyl-6-oxidanyl-6-oxidanylidene-hex-2-enyl]-3-oxidanylidene-1H-2-benzofuran-4-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C23H28O12
MOLECULAR WEIGHT: 496.46122
SMILES: CC1=C(C(=C(C2=C1COC2=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C/C=C(\C)/CCC(=O)O)OC
CAS RN: 383883-84-9
CAS Name: (3S,4S,5R)-3,4,5-trihydroxy-6-[3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenoxy]-2-oxanecarboxylic acid
OPENEYE Name: (3S,4S,5R)-3,4,5-trihydroxy-6-[3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenoxy]tetrahydropyran-2-carboxylic acid
IUPAC Name: (3S,4S,5R)-3,4,5-trihydroxy-6-[3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenoxy]oxane-2-carboxylic acid
SYSTEMATIC NAME: (3S,4S,5R)-6-[3-[(1R,2R)-2-(methylaminomethyl)-1-oxidanyl-cyclohexyl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C20H29NO8
MOLECULAR WEIGHT: 411.44616
SMILES: CNC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC3[C@@H]([C@H]([C@@H](C(O3)C(=O)O)O)O)O)O
CAS RN: 383891-39-2
CAS Name: (3S,4S,5R)-6-[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (3S,4S,5R)-6-[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxy-cyclohexyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (3S,4S,5R)-6-[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (3S,4S,5R)-6-[3-[(1R,2R)-2-[(dimethylamino)methyl]-1-oxidanyl-cyclohexyl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H31NO8
MOLECULAR WEIGHT: 425.47274
SMILES: CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC3[C@@H]([C@H]([C@@H](C(O3)C(=O)O)O)O)O)O
CAS RN: 1109217-84-6
CAS Name: (1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)-1-cyclohexanol hydrochloride
OPENEYE Name: (1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexanol hydrochloride
IUPAC Name: (1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol hydrochloride
SYSTEMATIC NAME: (1R,2R)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol hydrochloride
MOLECULAR FORMULA: C16H26ClNO2
MOLECULAR WEIGHT: 305.873111
SMILES: [2H]C([2H])([2H])N(C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O)C([2H])([2H])[2H].Cl
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