Monday, June 25, 2012

All Chemical Compounds Information



Product OPENEYE NAME: 1-(2,4-difluorophenyl)-7-[(1S,4S,5R)-5-[(dimethylamino)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-(2,4-difluorophenyl)-7-[(1S,4S,5R)-5-[(dimethylamino)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-(2,4-difluorophenyl)-7-[(1S,4S,5R)-5-[(dimethylamino)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-[2,4-bis(fluoranyl)phenyl]-7-[(1S,4S,5R)-5-[(dimethylamino)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C25H24F3N3O3
MOLECULAR WEIGHT: 471.47157
SMILES: CN(C)C[C@@H]1C[C@H]2C[C@@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)F)F)F
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Product OPENEYE NAME: (7R)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
CAS Name: (7R)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
IUPAC NAME: (7R)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
SYSTEMATIC NAME: (7R)-7-(4-methoxyphenyl)-6-oxidanyl-1,4-thiazepan-5-one
MOLECULAR FORMULA: C12H15NO3S
MOLECULAR WEIGHT: 253.3174
SMILES: COC1=CC=C(C=C1)[C@@H]2C(C(=O)NCCS2)O
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Product OPENEYE NAME: (7R)-4-[2-(dimethylamino)ethyl]-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
CAS Name: (7R)-4-[2-(dimethylamino)ethyl]-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
IUPAC NAME: (7R)-4-[2-(dimethylamino)ethyl]-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one
SYSTEMATIC NAME: (7R)-4-[2-(dimethylamino)ethyl]-7-(4-methoxyphenyl)-6-oxidanyl-1,4-thiazepan-5-one
MOLECULAR FORMULA: C16H24N2O3S
MOLECULAR WEIGHT: 324.43836
SMILES: CN(C)CCN1CCS[C@@H](C(C1=O)O)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: tert-butyl N-[(1S)-1-benzyl-2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]amino]-2-oxo-ethyl]carbamate
CAS Name: N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C24H32N4O7
MOLECULAR WEIGHT: 488.53348
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl N-[(1S)-2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamate
CAS Name: N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C25H34N4O8
MOLECULAR WEIGHT: 518.55946
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)[C@H](CC3=CC=C(C=C3)OC)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl N-[(1S)-2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate
CAS Name: N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C24H32N4O8
MOLECULAR WEIGHT: 504.53288
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl N-[2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]amino]-2-oxo-ethyl]carbamate
CAS Name: N-[2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]amino]-2-oxoethyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-2-oxoethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]amino]-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C17H26N4O7
MOLECULAR WEIGHT: 398.41094
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)CNC(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl N-[(1S)-2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]amino]-1-methyl-2-oxo-ethyl]carbamate
CAS Name: N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]amino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-1-[[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C18H28N4O7
MOLECULAR WEIGHT: 412.43752
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl N-[(1S)-1-[(2S)-2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]carbamate
CAS Name: N-[(2S)-1-[(2S)-2-[[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]amino]-oxomethyl]-1-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(2S)-1-[(2S)-2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-1-[(2S)-2-[[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
MOLECULAR FORMULA: C26H41N5O8
MOLECULAR WEIGHT: 551.63244
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
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