Sunday, November 27, 2011

http://ChemLookup.com Compounds




CAS RN: 124608-38-4
CAS Name: zinc (2S)-2-(methylhydrazo)propanoate
OPENEYE Name: zinc (2S)-2-(2-methylhydrazino)propanoate
IUPAC Name: zinc (2S)-2-(2-methylhydrazinyl)propanoate
SYSTEMATIC NAME: zinc (2S)-2-(2-methylhydrazinyl)propanoate
MOLECULAR FORMULA: C8H18N4O4Zn
MOLECULAR WEIGHT: 299.66192
SMILES: C[C@@H](C(=O)[O-])NNC.C[C@@H](C(=O)[O-])NNC.[Zn+2]
Structure:

CAS RN: 124608-37-3
CAS Name: copper (2S)-2-(methylhydrazo)propanoate
OPENEYE Name: copper (2S)-2-(2-methylhydrazino)propanoate
IUPAC Name: copper (2S)-2-(2-methylhydrazinyl)propanoate
SYSTEMATIC NAME: copper (2S)-2-(2-methylhydrazinyl)propanoate
MOLECULAR FORMULA: C8H18CuN4O4
MOLECULAR WEIGHT: 297.79892
SMILES: C[C@@H](C(=O)[O-])NNC.C[C@@H](C(=O)[O-])NNC.[Cu+2]
Structure:

CAS RN: 124508-94-7
CAS Name: 3,4-dimethyl-2-[(2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-thiazolidinyl]-4-thiazolidinecarboxylic acid
OPENEYE Name: 3,4-dimethyl-2-[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)thiazolidin-4-yl]thiazolidine-4-carboxylic acid
IUPAC Name: 3,4-dimethyl-2-[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 3,4-dimethyl-2-[(2Z)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C15H18N2O3S2
MOLECULAR WEIGHT: 338.44502
SMILES: CC1(CSC(N1C)C2CS/C(=C\3/C=CC=CC3=O)/N2)C(=O)O
Structure:

CAS RN: 124479-70-5
CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]acetyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-met
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethanoylamino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-m
MOLECULAR FORMULA: C53H68N10O11S
MOLECULAR WEIGHT: 1053.23242
SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCCCN)NC(=O)CNS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C
Structure:

CAS RN: 90815-77-3
CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(3-methylbutylamino)-1-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
OPENEYE Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-2-[[2-(isopentylamino)acetyl]amino]-1-methyl-2-oxo-ethyl]propanamide
IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(3-methylbutylamino)acetyl]amino]-1-oxopropan-2-yl]propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(2R)-1-[2-(3-methylbutylamino)ethanoylamino]-1-oxidanylidene-propan-2-yl]propanamide
MOLECULAR FORMULA: C19H30N4O4
MOLECULAR WEIGHT: 378.4659
SMILES: C[C@H](C(=O)NC(=O)CNCCC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
Structure:

CAS RN: 124166-28-5
CAS Name: 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 3-[5-(1,1-dimethylallyl)-2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one
IUPAC Name: 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 3-[5-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C25H26O6
MOLECULAR WEIGHT: 422.47034
SMILES: CC(=CCC1=C(C(=CC(=C1O)C(C)(C)C=C)C2=COC3=CC(=CC(=C3C2=O)O)O)O)C
Structure:

CAS RN: 124166-27-4
CAS Name: 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 3-[5-(1,1-dimethylallyl)-2,4-dihydroxy-phenyl]-5,7-dihydroxy-chromen-4-one
IUPAC Name: 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 3-[5-(2-methylbut-3-en-2-yl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C20H18O6
MOLECULAR WEIGHT: 354.35332
SMILES: CC(C)(C=C)C1=C(C=C(C(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O
Structure:

CAS RN: 124076-31-9
CAS Name: 2-[(4Z)-5-(hydroxymethyl)-2-methyl-3-oxo-4-[(2-pyridinylhydrazo)methylidene]-1-pyridin-1-iumyl]acetic acid ethyl ester bromide
OPENEYE Name: ethyl 2-[(4Z)-5-(hydroxymethyl)-2-methyl-3-oxo-4-[[2-(2-pyridyl)hydrazino]methylene]pyridin-1-ium-1-yl]acetate bromide
IUPAC Name: ethyl 2-[(4Z)-5-(hydroxymethyl)-2-methyl-3-oxo-4-[(2-pyridin-2-ylhydrazinyl)methylidene]pyridin-1-ium-1-yl]acetate bromide
SYSTEMATIC NAME: ethyl 2-[(4Z)-5-(hydroxymethyl)-2-methyl-3-oxidanylidene-4-[(2-pyridin-2-ylhydrazinyl)methylidene]pyridin-1-ium-1-yl]ethanoate bromide
MOLECULAR FORMULA: C17H21BrN4O4
MOLECULAR WEIGHT: 425.27704
SMILES: CCOC(=O)C[N+]1=C(C(=O)/C(=C\NNC2=CC=CC=N2)/C(=C1)CO)C.[Br-]
Structure:

CAS RN: 124001-41-8
CAS Name: (2S)-N-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-methyl-1-oxopropyl)amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-1-
OPENEYE Name: (2S)-N-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-methylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]propanoyl]-4-methyl-2-
IUPAC Name: (2S)-N-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-methylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]-4-methyl-2-(
SYSTEMATIC NAME: (2S)-N-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-methylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]propanoyl]-4-methyl-2-
MOLECULAR FORMULA: C45H65N13O8
MOLECULAR WEIGHT: 916.0799
SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NC(=O)[C@H](CC(C)C)NC)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CN=CN4)NC(=O)C(C)C
Structure:

CAS RN: 123940-54-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H24O9
MOLECULAR WEIGHT: 528.50616
SMILES: CC1=C2C3=C4C(=C(C(=O)C(=O)C5=CC(=C6C(=CC(=C(C6=C54)C3=C(C(=C2C(=O)C)OC)O)O)OC)OC)OC)C1
Structure:

CAS RN: 123886-73-7
CAS Name: (2S)-N-methyl-2-(2-methylpropylamino)propanamide
OPENEYE Name: (2S)-2-(isobutylamino)-N-methyl-propanamide
IUPAC Name: (2S)-N-methyl-2-(2-methylpropylamino)propanamide
SYSTEMATIC NAME: (2S)-N-methyl-2-(2-methylpropylamino)propanamide
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: C[C@@H](C(=O)NC)NCC(C)C
Structure:

CAS RN: 128022-94-6
CAS Name: (2S)-N-methyl-2-(2-methylpropylamino)propanamide
OPENEYE Name: (2S)-2-(isobutylamino)-N-methyl-propanamide
IUPAC Name: (2S)-N-methyl-2-(2-methylpropylamino)propanamide
SYSTEMATIC NAME: (2S)-N-methyl-2-(2-methylpropylamino)propanamide
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: C[C@@H](C(=O)NC)NCC(C)C
Structure:

CAS RN: 123769-98-2
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(2S)-2-[[(1S)-1-[[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]methyl]-3-methyl-butyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-indol-3-yl
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-o
MOLECULAR FORMULA: C56H76N14O9
MOLECULAR WEIGHT: 1089.29104
SMILES: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NC(=O)[C@H](CC1=CN=CN1)N[C@@H](CC(C)C)CN[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC5=CC=CC=C5)N
Structure:

CAS RN: 123689-72-5
CAS Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]hexanamide
OPENEYE Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide
IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide
MOLECULAR FORMULA: C41H58N14O6
MOLECULAR WEIGHT: 842.98942
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC4=CN=CN4)N
Structure:

CAS RN: 123496-54-8
CAS Name: (2S)-6-amino-N-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]-2-[[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]hexanamide
OPENEYE Name: (2S)-6-amino-N-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]-2-[[1-(2-chloroacetyl)-4-guanidino-butyl]amino]hexanamide
IUPAC Name: (2S)-6-amino-N-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]-2-[[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]hexanamide
SYSTEMATIC NAME: (2S)-6-azanyl-N-[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]-2-[[6-[bis(azanyl)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]amino]hexanamide
MOLECULAR FORMULA: C25H41ClN8O5
MOLECULAR WEIGHT: 569.09664
SMILES: C[C@@H](C(=O)NC(=O)[C@H](CCCCN)NC(CCCN=C(N)N)C(=O)CCl)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
Structure:

CAS RN: 123442-26-2
CAS Name: 3,5,7-trihydroxy-2-[4-hydroxy-3-methoxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one
OPENEYE Name: 3,5,7-trihydroxy-2-[4-hydroxy-3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-4-one
IUPAC Name: 3,5,7-trihydroxy-2-[4-hydroxy-3-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
SYSTEMATIC NAME: 2-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-methoxy-4-oxidanyl-phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C22H22O13
MOLECULAR WEIGHT: 494.40228
SMILES: COC1=CC(=CC(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O
Structure:

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