Sunday, October 2, 2011

All Chemical Compounds Information



Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H35N3
MOLECULAR WEIGHT: 317.512
SMILES: C1CCN[C@@H](C1)[C@]23C[C@H](C[C@@H]4[C@@H]2NCCC4)[C@H]5CCCCN5C3
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Product OPENEYE NAME: (3R,4S)-8-azabicyclo[3.2.1]octane-3,4,5-triol
CAS Name: (3R,4S)-8-azabicyclo[3.2.1]octane-3,4,5-triol
IUPAC NAME: (3R,4S)-8-azabicyclo[3.2.1]octane-3,4,5-triol
SYSTEMATIC NAME: (3R,4S)-8-azabicyclo[3.2.1]octane-3,4,5-triol
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: C1CC2([C@H]([C@@H](CC1N2)O)O)O
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Product OPENEYE NAME: (2S,3R,4S)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
CAS Name: (2S,3R,4S)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
IUPAC NAME: (2S,3R,4S)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2S,3R,4S)-8-azabicyclo[3.2.1]octane-2,3,4,5-tetrol
MOLECULAR FORMULA: C7H13NO4
MOLECULAR WEIGHT: 175.18242
SMILES: C1CC2([C@H]([C@@H]([C@H](C1N2)O)O)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H63NO10
MOLECULAR WEIGHT: 717.92892
SMILES: CC[C@@H]1CCC[C@@H]([C@@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)NC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H17N3O8
MOLECULAR WEIGHT: 319.26798
SMILES: C(C1([C@H]2C(C34[C@@H](C(O2)(OC1C3C([NH+]=C(N4)N)O)[O-])O)O)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H17N3O8
MOLECULAR WEIGHT: 319.26798
SMILES: C(C1([C@H]2C(C34[C@@H](C(O2)(OC1C3C(N=C(N4)N)O)O)O)O)O)O
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Product OPENEYE NAME: (3R,5R,6S,7R,8S,9R,12S,13R,14S,15S)-6,8,14-trihydroxy-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione
CAS Name: (3R,5R,6S,7R,8S,9R,12S,13R,14S,15S)-6,8,14-trihydroxy-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione
IUPAC NAME: (3R,5R,6S,7R,8S,9R,12S,13R,14S,15S)-6,8,14-trihydroxy-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione
SYSTEMATIC NAME: (3R,5R,6S,7R,8S,9R,12S,13R,14S,15S)-5,7,9,12,13,15-hexamethyl-6,8,14-tris(oxidanyl)-2,11-dioxaspiro[2.13]hexadecane-10,16-dione
MOLECULAR FORMULA: C20H34O7
MOLECULAR WEIGHT: 386.47976
SMILES: C[C@@H]1C[C@@]2(CO2)C(=O)[C@H]([C@H]([C@H]([C@@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C72H110N12O20
MOLECULAR WEIGHT: 1463.7122
SMILES: CCCCCCCCCCCCCC(CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCN)C(=O)N[C@H]1CC2=CC=C(C=C2)OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](C)O)CCC(=O)O)C)CCC(=O)N)CC4=CC=C(C=C4)O)[C@H](C)CC)O
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Product OPENEYE NAME: (2S)-2-[[(5R,8R)-8-[[(2S,3R)-1-(2-amino-3-hydroxy-propanoyl)-3-hydroxy-pyrrolidine-2-carbonyl]amino]-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carbonyl]amino]propanoic acid
CAS Name: (2S)-2-[[[(5R,8R)-8-[[[(2S,3R)-1-(2-amino-3-hydroxy-1-oxopropyl)-3-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-5-yl]-oxomethyl]amino]propanoic acid
IUPAC NAME: (2S)-2-[[(5R,8R)-8-[[(2S,3R)-1-(2-amino-3-hydroxypropanoyl)-3-hydroxypyrrolidine-2-carbonyl]amino]-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carbonyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(5R,8R)-8-[[(2S,3R)-1-(2-azanyl-3-oxidanyl-propanoyl)-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]-13-methyl-14,16-bis(oxidanyl)-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-5-yl]carbonylamino]propanoic acid
MOLECULAR FORMULA: C26H35N5O12S
MOLECULAR WEIGHT: 641.6474
SMILES: CC1=C(C=C(C2=C1C(=O)OC[C@H](C(=O)N[C@@H](CSC2)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]3[C@@H](CCN3C(=O)C(CO)N)O)O)O
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Product OPENEYE NAME: ferrous 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-21,23-diid-2-yl]propanoic acid
CAS Name: 3-[18-(2-carboxyethyl)-8,13-bis(1-mercaptoethyl)-3,7,12,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoic acid; iron(2+)
IUPAC NAME: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-21,23-diid-2-yl]propanoic acid; iron(2+)
SYSTEMATIC NAME: 3-[18-(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)porphyrin-21,23-diid-2-yl]propanoic acid; iron(2+)
MOLECULAR FORMULA: C34H36FeN4O4S2
MOLECULAR WEIGHT: 684.64904
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)S)C)C(C)S)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]
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Product OPENEYE NAME: dioxonium; actinium; [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl] hydrogen phosphate; azanide; hydrate
CAS Name: dioxonium; actinium; [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] hydrogen phosphate; azanide; hydrate
IUPAC NAME: dioxidanium; actinium; [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] hydrogen phosphate; azanide; hydrate
SYSTEMATIC NAME: dioxidanium; actinium; [[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl] hydrogen phosphate; azanide; hydrate
MOLECULAR FORMULA: C10H36Ac10N10O22P5-3
MOLECULAR WEIGHT: 3073.592915
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[OH3+].[OH3+].O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
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