Thursday, November 1, 2012

http://ChemLookup.com Compounds




CAS RN: 13636-10-7
CAS Name: 6-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyridinecarboxamide
OPENEYE Name: 6-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-2-carboxamide
IUPAC Name: 6-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
SYSTEMATIC NAME: 6-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyridine-2-carboxamide
MOLECULAR FORMULA: C11H14N2O5
MOLECULAR WEIGHT: 254.23926
SMILES: C1=CC(=NC(=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
Structure:

CAS RN: 13613-39-3
CAS Name: (2S)-4-(9H-fluoren-9-ylmethoxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid
OPENEYE Name: (2S)-2-(tert-butoxycarbonylamino)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-butanoic acid
IUPAC Name: (2S)-4-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: (2S)-4-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C23H25NO6
MOLECULAR WEIGHT: 411.4477
SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
Structure:

CAS RN: 135872-94-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H5Cl4NO2
MOLECULAR WEIGHT: 300.9535
SMILES: C1C2(C3C(C1(C(=C2Cl)Cl)Cl)C(=O)NC3=O)Cl
Structure:

CAS RN: 116696-26-5
CAS Name: dicopper 2-hydroxy-3,5-di(propan-2-yl)benzoate
OPENEYE Name: dicopper 2-hydroxy-3,5-diisopropyl-benzoate
IUPAC Name: dicopper 2-hydroxy-3,5-di(propan-2-yl)benzoate
SYSTEMATIC NAME: dicopper 2-oxidanyl-3,5-di(propan-2-yl)benzoate
MOLECULAR FORMULA: C52H68Cu2O12
MOLECULAR WEIGHT: 1012.18112
SMILES: CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.[Cu+2].[Cu+2]
Structure:

CAS RN: 13515-74-7
CAS Name: (3S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
OPENEYE Name: (3S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
IUPAC Name: (3S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
SYSTEMATIC NAME: (3S,10S,13R,14S,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C(=O)O
Structure:

CAS RN: 13401-80-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O7
MOLECULAR WEIGHT: 376.40036
SMILES: CC1=C2C[C@@H]3[C@]([C@@]2([C@@H]4[C@@H]([C@H]([C@@H]1OC(=O)C=C(C)C)O)C(=C)C(=O)O4)O)(O3)C
Structure:

CAS RN: 13361-94-9
CAS Name: (2S)-N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-mercapto-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-1-[2-[[(2R)-2-[[(2S)-2-[[[1-[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2S,3
OPENEYE Name: (2S)-1-[2-[[(2R)-2-[[(2S)-2-[[1-[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanyl-propanoyl]amino]a
IUPAC Name: (2S)-1-[2-[[(2R)-2-[[(2S)-2-[[1-[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl
SYSTEMATIC NAME: (2S)-1-[2-[[(2R)-2-[[(2S)-2-[[1-[(2S)-4-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-sulfanyl-prop
MOLECULAR FORMULA: C55H88N16O16S4
MOLECULAR WEIGHT: 1357.64482
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCCC1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N)N
Structure:

CAS RN: 13293-59-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H44N2O4
MOLECULAR WEIGHT: 520.70276
SMILES: CC1CC2=C3CCCN(CCCC3C(=O)C2C4C5=C6CCCN(CCCC6C4=O)C(=O)CC(C5)C)C(=O)C1
Structure:

CAS RN: 1321-91-1
CAS Name: (1aR,2R,2aR,6aR)-2,2a-dihydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]indene-6,6a-dicarboxaldehyde
OPENEYE Name: (1aR,2R,2aR,6aR)-2,2a-dihydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]indene-6,6a-dicarbaldehyde
IUPAC Name: (1aR,2R,2aR,6aR)-2,2a-dihydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]indene-6,6a-dicarbaldehyde
SYSTEMATIC NAME: (1aR,2R,2aR,6aR)-1a,4,4-trimethyl-2,2a-bis(oxidanyl)-1,2,3,5-tetrahydrocyclopropa[f]indene-6,6a-dicarbaldehyde
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C[C@@]12C[C@@]1(C(=C3CC(C[C@@]3([C@@H]2O)O)(C)C)C=O)C=O
Structure:

CAS RN: 13190-97-1
CAS Name: acetic acid [(1aR,2R,2aR,6aR)-6,6a-diformyl-2a-hydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]inden-2-yl] ester
OPENEYE Name: [(1aR,2R,2aR,6aR)-6,6a-diformyl-2a-hydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]inden-2-yl] acetate
IUPAC Name: [(1aR,2R,2aR,6aR)-6,6a-diformyl-2a-hydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]inden-2-yl] acetate
SYSTEMATIC NAME: [(1aR,2R,2aR,6aR)-6,6a-dimethanoyl-1a,4,4-trimethyl-2a-oxidanyl-1,2,3,5-tetrahydrocyclopropa[f]inden-2-yl] ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: CC(=O)O[C@@H]1[C@@]2(C[C@@]2(C(=C3[C@@]1(CC(C3)(C)C)O)C=O)C=O)C
Structure:

CAS RN: 13176-46-0
CAS Name: 2,2-dimethylbutanoic acid [(1S,3R,7R,8R,8aS)-3-(hydroxymethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
OPENEYE Name: [(1S,3R,7R,8R,8aS)-3-(hydroxymethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
IUPAC Name: [(1S,3R,7R,8R,8aS)-3-(hydroxymethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
SYSTEMATIC NAME: [(1S,3R,7R,8R,8aS)-3-(hydroxymethyl)-7-methyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
MOLECULAR FORMULA: C25H38O6
MOLECULAR WEIGHT: 434.56562
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@@H]1[C@@H]([C@@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)CO
Structure:

CAS RN: 114651-37-5
CAS Name: [4-(ethenoxymethyl)cyclohexyl]methanol
OPENEYE Name: [4-(vinyloxymethyl)cyclohexyl]methanol
IUPAC Name: [4-(ethenoxymethyl)cyclohexyl]methanol
SYSTEMATIC NAME: [4-(ethenoxymethyl)cyclohexyl]methanol
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: C=COCC1CCC(CC1)CO
Structure:

CAS RN: 13143-88-9
CAS Name: [4-(ethenoxymethyl)cyclohexyl]methanol
OPENEYE Name: [4-(vinyloxymethyl)cyclohexyl]methanol
IUPAC Name: [4-(ethenoxymethyl)cyclohexyl]methanol
SYSTEMATIC NAME: [4-(ethenoxymethyl)cyclohexyl]methanol
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: C=COCC1CCC(CC1)CO
Structure:

CAS RN: 13125-51-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: C[C@]12CC[C@H](C=C1[C@H]3[C@H](O3)[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@]56CCC(=O)O6)C)O
Structure:

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