Saturday, January 5, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 5-[(6S)-6-methoxycarbonyl-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-[(6S)-6-methoxycarbonyl-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-[(6S)-6-methoxycarbonyl-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(6S)-6-methoxycarbonyl-3-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C23H29N3O6
MOLECULAR WEIGHT: 443.49286
SMILES: CC(C)(CC(=O)N1CC2=C(C[C@H]1C(=O)OC)N=CN2CC3=CC=C(C=C3)OC)CC(=O)O
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Product OPENEYE NAME: 4-[(6S)-3-isopropyl-6-methoxycarbonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-oxo-butanoic acid
CAS Name: 4-[(6S)-6-methoxycarbonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
IUPAC NAME: 4-[(6S)-6-methoxycarbonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(6S)-6-methoxycarbonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C15H21N3O5
MOLECULAR WEIGHT: 323.34434
SMILES: CC(C)N1C=NC2=C1CN([C@@H](C2)C(=O)OC)C(=O)CCC(=O)O
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Product OPENEYE NAME: 4-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-oxo-butanoic acid
CAS Name: 4-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
IUPAC NAME: 4-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C13H17N3O5
MOLECULAR WEIGHT: 295.29118
SMILES: CN1C=NC2=C1CN([C@@H](C2)C(=O)OC)C(=O)CCC(=O)O
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Product OPENEYE NAME: 4-[(6S)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxo-butanoic acid
CAS Name: 4-[(6S)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
IUPAC NAME: 4-[(6S)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(6S)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C13H15N5O4
MOLECULAR WEIGHT: 305.2893
SMILES: CC1=NOC(=N1)[C@@H]2CC3=C(CN2C(=O)CCC(=O)O)NC=N3
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Product OPENEYE NAME: N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholinoethylamino)-3-oxo-propyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethyl-butanamide
CAS Name: N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-[2-(4-morpholinyl)ethylamino]-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide
IUPAC NAME: N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide
SYSTEMATIC NAME: N-[(1S,3aS,5S,7aR)-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxidanylidene-propyl]-5-oxidanyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethyl-butanamide
MOLECULAR FORMULA: C27H49N3O4
MOLECULAR WEIGHT: 479.69566
SMILES: C[C@@]1(CC[C@]2([C@@H](C1)C(C[C@@H]2NC(=O)CC(C)(C)C)(C)C)CCC(=O)NCCN3CCOCC3)O
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Product OPENEYE NAME: N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholinoethylamino)-3-oxo-propyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]-4-(dimethylamino)benzamide
CAS Name: N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-[2-(4-morpholinyl)ethylamino]-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]-4-(dimethylamino)benzamide
IUPAC NAME: N-[(1S,3aS,5S,7aR)-5-hydroxy-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-1,2,3a,4,6,7-hexahydroinden-1-yl]-4-(dimethylamino)benzamide
SYSTEMATIC NAME: N-[(1S,3aS,5S,7aR)-3,3,5-trimethyl-7a-[3-(2-morpholin-4-ylethylamino)-3-oxidanylidene-propyl]-5-oxidanyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-4-(dimethylamino)benzamide
MOLECULAR FORMULA: C30H48N4O4
MOLECULAR WEIGHT: 528.72652
SMILES: C[C@@]1(CC[C@]2([C@@H](C1)C(C[C@@H]2NC(=O)C3=CC=C(C=C3)N(C)C)(C)C)CCC(=O)NCCN4CCOCC4)O
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Product OPENEYE NAME: 3-[(3S,3aR,6S,7aS)-6-hydroxy-1,1,6-trimethyl-3-[(1-methylpyrrol-2-yl)methylamino]-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
CAS Name: 3-[(3S,3aR,6S,7aS)-6-hydroxy-1,1,6-trimethyl-3-[(1-methyl-2-pyrrolyl)methylamino]-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
IUPAC NAME: 3-[(3S,3aR,6S,7aS)-6-hydroxy-1,1,6-trimethyl-3-[(1-methylpyrrol-2-yl)methylamino]-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
SYSTEMATIC NAME: 3-[(3S,3aR,6S,7aS)-1,1,6-trimethyl-3-[(1-methylpyrrol-2-yl)methylamino]-6-oxidanyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
MOLECULAR FORMULA: C24H41N3O3
MOLECULAR WEIGHT: 419.60064
SMILES: C[C@@]1(CC[C@]2([C@@H](C1)C(C[C@@H]2NCC3=CC=CN3C)(C)C)CCC(=O)NCCOC)O
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Product OPENEYE NAME: 3-[(3S,3aR,6S,7aS)-6-hydroxy-3-[[5-(hydroxymethyl)-2-furyl]methylamino]-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
CAS Name: 3-[(3S,3aR,6S,7aS)-6-hydroxy-3-[[5-(hydroxymethyl)-2-furanyl]methylamino]-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
IUPAC NAME: 3-[(3S,3aR,6S,7aS)-6-hydroxy-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
SYSTEMATIC NAME: 3-[(3S,3aR,6S,7aS)-3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-1,1,6-trimethyl-6-oxidanyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
MOLECULAR FORMULA: C24H40N2O5
MOLECULAR WEIGHT: 436.5848
SMILES: C[C@@]1(CC[C@]2([C@@H](C1)C(C[C@@H]2NCC3=CC=C(O3)CO)(C)C)CCC(=O)NCCOC)O
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Product OPENEYE NAME: 3-[(3S,3aR,6S,7aS)-3-[(1-acetyl-4-piperidyl)amino]-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
CAS Name: 3-[(3S,3aR,6S,7aS)-3-[(1-acetyl-4-piperidinyl)amino]-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
IUPAC NAME: 3-[(3S,3aR,6S,7aS)-3-[(1-acetylpiperidin-4-yl)amino]-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
SYSTEMATIC NAME: 3-[(3S,3aR,6S,7aS)-3-[(1-ethanoylpiperidin-4-yl)amino]-1,1,6-trimethyl-6-oxidanyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
MOLECULAR FORMULA: C25H45N3O4
MOLECULAR WEIGHT: 451.6425
SMILES: CC(=O)N1CCC(CC1)N[C@H]2CC([C@H]3[C@@]2(CC[C@](C3)(C)O)CCC(=O)NCCOC)(C)C
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Product OPENEYE NAME: 3-[(3S,3aR,6S,7aS)-6-hydroxy-3-(isopropylamino)-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
CAS Name: 3-[(3S,3aR,6S,7aS)-6-hydroxy-1,1,6-trimethyl-3-(propan-2-ylamino)-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
IUPAC NAME: 3-[(3S,3aR,6S,7aS)-6-hydroxy-1,1,6-trimethyl-3-(propan-2-ylamino)-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
SYSTEMATIC NAME: 3-[(3S,3aR,6S,7aS)-1,1,6-trimethyl-6-oxidanyl-3-(propan-2-ylamino)-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
MOLECULAR FORMULA: C21H40N2O3
MOLECULAR WEIGHT: 368.5539
SMILES: CC(C)N[C@H]1CC([C@H]2[C@@]1(CC[C@](C2)(C)O)CCC(=O)NCCOC)(C)C
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Product OPENEYE NAME: 3-[(3S,3aR,6S,7aS)-6-hydroxy-1,1,6-trimethyl-3-[(1-methyl-4-piperidyl)amino]-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(3-pyridylmethyl)propanamide
CAS Name: 3-[(3S,3aR,6S,7aS)-6-hydroxy-1,1,6-trimethyl-3-[(1-methyl-4-piperidinyl)amino]-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(3-pyridinylmethyl)propanamide
IUPAC NAME: 3-[(3S,3aR,6S,7aS)-6-hydroxy-1,1,6-trimethyl-3-[(1-methylpiperidin-4-yl)amino]-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(pyridin-3-ylmethyl)propanamide
SYSTEMATIC NAME: 3-[(3S,3aR,6S,7aS)-1,1,6-trimethyl-3-[(1-methylpiperidin-4-yl)amino]-6-oxidanyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(pyridin-3-ylmethyl)propanamide
MOLECULAR FORMULA: C27H44N4O2
MOLECULAR WEIGHT: 456.66386
SMILES: C[C@@]1(CC[C@]2([C@@H](C1)C(C[C@@H]2NC3CCN(CC3)C)(C)C)CCC(=O)NCC4=CN=CC=C4)O
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Product OPENEYE NAME: N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-4-(trifluoromethyl)benzamide
CAS Name: N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-4-(trifluoromethyl)benzamide
IUPAC NAME: N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-4-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[(1S,3aS,5S,7aR)-7a-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-3,3,5-trimethyl-5-oxidanyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-4-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C34H44F3N3O4
MOLECULAR WEIGHT: 615.72607
SMILES: C[C@@]1(CC[C@]2([C@@H](C1)C(C[C@@H]2NC(=O)C3=CC=C(C=C3)C(F)(F)F)(C)C)CCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)O
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Product OPENEYE NAME: 4-[[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methylamino]-4-oxo-butanoic acid
CAS Name: 4-[[(1S,4S,6S)-4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methylamino]-4-oxobutanoic acid
IUPAC NAME: 4-[[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(1S,4S,6S)-4-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C23H37N3O5
MOLECULAR WEIGHT: 435.55698
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC(=O)N2CCN(CC2)C(=O)C)C(C)C)CNC(=O)CCC(=O)O
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Product OPENEYE NAME: 4-acetamido-N-[[(1S,4S,6S)-4-[2-(cyclopentylamino)-2-oxo-ethyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]benzamide
CAS Name: 4-acetamido-N-[[(1S,4S,6S)-4-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]benzamide
IUPAC NAME: 4-acetamido-N-[[(1S,4S,6S)-4-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
SYSTEMATIC NAME: 4-acetamido-N-[[(1S,4S,6S)-4-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]benzamide
MOLECULAR FORMULA: C27H39N3O3
MOLECULAR WEIGHT: 453.61686
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC(=O)NC2CCCC2)C(C)C)CNC(=O)C3=CC=C(C=C3)NC(=O)C
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Product OPENEYE NAME: 4-[[(1S,4S,6S)-6-isopropyl-4-[2-(2-methoxyethylamino)-2-oxo-ethyl]-3-methyl-cyclohex-2-en-1-yl]methylamino]-4-oxo-butanoic acid
CAS Name: 4-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methylamino]-4-oxobutanoic acid
IUPAC NAME: 4-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C20H34N2O5
MOLECULAR WEIGHT: 382.49436
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC(=O)NCCOC)C(C)C)CNC(=O)CCC(=O)O
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Product OPENEYE NAME: N-[4-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)cyclohex-2-en-1-yl]methylsulfamoyl]phenyl]acetamide
CAS Name: N-[4-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-6-propan-2-yl-1-cyclohex-2-enyl]methylsulfamoyl]phenyl]acetamide
IUPAC NAME: N-[4-[[(1S,4S,6S)-3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methylsulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[(1S,4S,6S)-3-methyl-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-6-propan-2-yl-cyclohex-2-en-1-yl]methylsulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C25H37N3O4S
MOLECULAR WEIGHT: 475.64398
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC(=O)N2CCCC2)C(C)C)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C
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Product OPENEYE NAME: 4-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[2-oxo-2-(2-pyridylmethylamino)ethyl]cyclohex-2-en-1-yl]methylamino]-4-oxo-butanoic acid
CAS Name: 4-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-6-propan-2-yl-1-cyclohex-2-enyl]methylamino]-4-oxobutanoic acid
IUPAC NAME: 4-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(1S,4S,6S)-3-methyl-4-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C23H33N3O4
MOLECULAR WEIGHT: 415.52582
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC(=O)NCC2=CC=CC=N2)C(C)C)CNC(=O)CCC(=O)O
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