Monday, November 28, 2011

http://ChemLookup.com Compounds




CAS RN: 66749-01-7
CAS Name: (Z)-3-oxo-1-phenyl-1-buten-1-olate; titanium(4+); dibromide
OPENEYE Name: (Z)-3-oxo-1-phenyl-but-1-en-1-olate; titanium(4+); dibromide
IUPAC Name: (Z)-3-oxo-1-phenylbut-1-en-1-olate; titanium(4+); dibromide
SYSTEMATIC NAME: (Z)-3-oxidanylidene-1-phenyl-but-1-en-1-olate; titanium(4+); dibromide
MOLECULAR FORMULA: C20H18Br2O4Ti
MOLECULAR WEIGHT: 530.02952
SMILES: CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.[Ti+4].[Br-].[Br-]
Structure:

CAS RN: 95602-96-3
CAS Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-2-[(2-chloro-1-oxoethyl)-hydroxyamino]-3-methylpentanamide
OPENEYE Name: (2S)-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]-2-[(2-chloroacetyl)-hydroxy-amino]-3-methyl-pentanamide
IUPAC Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-2-[(2-chloroacetyl)-hydroxyamino]-3-methylpentanamide
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]-2-[2-chloranylethanoyl(oxidanyl)amino]-3-methyl-pentanamide
MOLECULAR FORMULA: C13H23ClN4O5
MOLECULAR WEIGHT: 350.79852
SMILES: CCC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N)N(C(=O)CCl)O
Structure:

CAS RN: 132759-68-3
CAS Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methyl]pentane-2,4-dione
OPENEYE Name: 3-[(3,4-dihydroxy-5-nitro-phenyl)methyl]pentane-2,4-dione
IUPAC Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methyl]pentane-2,4-dione
SYSTEMATIC NAME: 3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methyl]pentane-2,4-dione
MOLECULAR FORMULA: C12H13NO6
MOLECULAR WEIGHT: 267.23472
SMILES: CC(=O)C(CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C
Structure:

CAS RN: 132020-55-4
CAS Name: 7-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-5,6-dimethyl-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-5,6-dimethyl-chromen-4-one
IUPAC Name: 7-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-5,6-dimethylchromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-3-methoxy-5,6-dimethyl-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: CC1=C(C=C2C(=C1C)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O
Structure:

CAS RN: 131575-03-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23NO4
MOLECULAR WEIGHT: 329.39022
SMILES: C[C@]12C(=O)CC[C@@]3([C@]14CCN([C@@H]3CC5=C4C(=C(C=C5)O)O2)C)OC
Structure:

CAS RN: 131563-73-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H19NO4
MOLECULAR WEIGHT: 301.33706
SMILES: CN1CC[C@]23[C@@H]4[C@H]1[C@H](C5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)O
Structure:

CAS RN: 129832-35-5
CAS Name: (1S,3R,4S)-4-(trioxidanylphosphinooxy)cyclohexane-1,3-diol
OPENEYE Name: (1S,3R,4S)-4-(trioxidanylphosphanyloxy)cyclohexane-1,3-diol
IUPAC Name: (1S,3R,4S)-4-(trioxidanylphosphanyloxy)cyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,4S)-4-(trioxidanylphosphanyloxy)cyclohexane-1,3-diol
MOLECULAR FORMULA: C6H13O6P
MOLECULAR WEIGHT: 212.137581
SMILES: C1C[C@@H]([C@@H](C[C@H]1O)O)OPOOO
Structure:

CAS RN: 129520-55-4
CAS Name: 2,3,4,5-tetrafluoro-6-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 2,3,4,5-tetrafluoro-6-[(2,3,4,5,6-pentafluorophenyl)hydrazono]cyclohexa-2,4-dien-1-one
IUPAC Name: 2,3,4,5-tetrafluoro-6-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 2,3,4,5-tetrakis(fluoranyl)-6-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]hydrazinylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C12HF9N2O
MOLECULAR WEIGHT: 360.134769
SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)NN=C2C(=C(C(=C(C2=O)F)F)F)F
Structure:

CAS RN: 95537-14-7
CAS Name: (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-3-(4-azidophenyl)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide; 2,2,2-trifluoroacetic acid
OPENEYE Name: (2S)-2-amino-N-[(1R)-2-[[2-[[(1S)-1-[(4-azidophenyl)methyl]-2-(2-hydroxyethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide; 2,2,2-trifluoroacetic acid
IUPAC Name: (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-3-(4-azidophenyl)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(2R)-1-[[2-[[(2S)-3-(4-azidophenyl)-1-(2-hydroxyethylamino)-1-oxidanylidene-propan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C28H35F3N8O8
MOLECULAR WEIGHT: 668.62151
SMILES: C[C@H](C(=O)NCC(=O)N(C)[C@@H](CC1=CC=C(C=C1)N=[N+]=[N-])C(=O)NCCO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N.C(=O)(C(F)(F)F)O
Structure:

CAS RN: 95416-28-7
CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-1-oxopropyl]am
OPENEYE Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]
IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]he
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]a
MOLECULAR FORMULA: C42H73N13O10
MOLECULAR WEIGHT: 920.11012
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)N
Structure:

CAS RN: 95378-00-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H16O4
MOLECULAR WEIGHT: 368.38144
SMILES: CC(=CC1=C2C3=C(O1)C4=CC=CC=C4C(=C3C(=O)C5=CC=CC=C5C2=O)O)C
Structure:

CAS RN: 128864-31-3
CAS Name: acetic acid [(2S)-1-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-1-oxopropan-2-yl] ester
OPENEYE Name: [(1S)-2-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-1-methyl-2-oxo-ethyl] acetate
IUPAC Name: [(2S)-1-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-1-oxopropan-2-yl] acetate
SYSTEMATIC NAME: [(2S)-1-[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]-1-oxidanylidene-propan-2-yl] ethanoate
MOLECULAR FORMULA: C19H16O6
MOLECULAR WEIGHT: 340.32674
SMILES: C[C@@H](C(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O)OC(=O)C
Structure:

CAS RN: 95262-82-1
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[2-(methylamino)-1-oxoethyl]amino]-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-guanidino-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-5-[bis(azanyl)methylideneamino]-2-[2-(methylamino)ethanoylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imida
MOLECULAR FORMULA: C59H87N17O12
MOLECULAR WEIGHT: 1226.42878
SMILES: CCC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC
Structure:

CAS RN: 67952-76-5
CAS Name: (2Z)-2-(2-amino-4-thiazolyl)-2-methoxyiminoacetic acid
OPENEYE Name: (2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetic acid
IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
SYSTEMATIC NAME: (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoic acid
MOLECULAR FORMULA: C6H7N3O3S
MOLECULAR WEIGHT: 201.20308
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)O
Structure:

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