Monday, November 28, 2011

http://ChemLookup.com Compounds




CAS RN: 38420-73-4
CAS Name: (Z)-4-oxo-2-penten-2-olate; palladium(2+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; palladium(2+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; palladium(2+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; palladium(2+)
MOLECULAR FORMULA: C10H14O4Pd
MOLECULAR WEIGHT: 304.63576
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Pd+2]
Structure:

CAS RN: 14024-58-9
CAS Name: manganese(2+); (Z)-4-oxo-2-penten-2-olate
OPENEYE Name: manganous (Z)-4-oxopent-2-en-2-olate
IUPAC Name: manganese(2+); (Z)-4-oxopent-2-en-2-olate
SYSTEMATIC NAME: manganese(2+); (Z)-4-oxidanylidenepent-2-en-2-olate
MOLECULAR FORMULA: C10H14MnO4
MOLECULAR WEIGHT: 253.153809
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Mn+2]
Structure:

CAS RN: 14024-56-7
CAS Name: magnesium (Z)-4-oxo-2-penten-2-olate
OPENEYE Name: magnesium (Z)-4-oxopent-2-en-2-olate
IUPAC Name: magnesium (Z)-4-oxopent-2-en-2-olate
SYSTEMATIC NAME: magnesium (Z)-4-oxidanylidenepent-2-en-2-olate
MOLECULAR FORMULA: C10H14MgO4
MOLECULAR WEIGHT: 222.52076
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Mg+2]
Structure:

CAS RN: 13476-99-8
CAS Name: (Z)-4-oxo-2-penten-2-olate; vanadium
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; vanadium
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; vanadium
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; vanadium
MOLECULAR FORMULA: C15H21O6V-3
MOLECULAR WEIGHT: 348.26514
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[V]
Structure:

CAS RN: 37042-53-8
CAS Name: (Z)-4-oxo-2-penten-2-olate; vanadium
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; vanadium
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; vanadium
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; vanadium
MOLECULAR FORMULA: C15H21O6V-3
MOLECULAR WEIGHT: 348.26514
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[V]
Structure:

CAS RN: 69976-01-8
CAS Name: (Z)-4-oxo-2-penten-2-olate; vanadium
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; vanadium
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; vanadium
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; vanadium
MOLECULAR FORMULA: C15H21O6V-3
MOLECULAR WEIGHT: 348.26514
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[V]
Structure:

CAS RN: 10210-64-7
CAS Name: beryllium (Z)-4-oxo-2-penten-2-olate
OPENEYE Name: beryllium (Z)-4-oxopent-2-en-2-olate
IUPAC Name: beryllium (Z)-4-oxopent-2-en-2-olate
SYSTEMATIC NAME: beryllium (Z)-4-oxidanylidenepent-2-en-2-olate
MOLECULAR FORMULA: C10H14BeO4
MOLECULAR WEIGHT: 207.227942
SMILES: [Be+2].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-]
Structure:

CAS RN: 58271-97-9
CAS Name: (Z)-4-oxo-2-penten-2-olate; oxovanadium(2+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; oxidanylidenevanadium(2+)
MOLECULAR FORMULA: C10H14O5V
MOLECULAR WEIGHT: 265.15666
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].O=[V+2]
Structure:

CAS RN: 13930-95-5
CAS Name: (Z)-4-oxo-2-penten-2-olate; oxovanadium(2+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; oxidanylidenevanadium(2+)
MOLECULAR FORMULA: C10H14O5V
MOLECULAR WEIGHT: 265.15666
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].O=[V+2]
Structure:

CAS RN: 21773-11-5
CAS Name: (Z)-4-oxo-2-penten-2-olate; oxovanadium(2+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; oxidanylidenevanadium(2+)
MOLECULAR FORMULA: C10H14O5V
MOLECULAR WEIGHT: 265.15666
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].O=[V+2]
Structure:

CAS RN: 39136-41-9
CAS Name: (Z)-4-oxo-2-penten-2-olate; oxovanadium(2+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; oxidanylidenevanadium(2+)
MOLECULAR FORMULA: C10H14O5V
MOLECULAR WEIGHT: 265.15666
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].O=[V+2]
Structure:

CAS RN: 72007-96-6
CAS Name: (Z)-4-oxo-2-penten-2-olate; oxovanadium(2+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; oxovanadium(2+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; oxidanylidenevanadium(2+)
MOLECULAR FORMULA: C10H14O5V
MOLECULAR WEIGHT: 265.15666
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].O=[V+2]
Structure:

CAS RN: 109875-50-5
CAS Name: 2-(4-nitrophenyl)-7H-purin-6-amine
OPENEYE Name: 2-(4-nitrophenyl)-7H-purin-6-amine
IUPAC Name: 2-(4-nitrophenyl)-7H-purin-6-amine
SYSTEMATIC NAME: 2-(4-nitrophenyl)-7H-purin-6-amine
MOLECULAR FORMULA: C11H8N6O2
MOLECULAR WEIGHT: 256.22022
SMILES: C1=CC(=CC=C1C2=NC3=C(C(=N2)N)NC=N3)[N+](=O)[O-]
Structure:

CAS RN: 20493-41-8
CAS Name: hydron; N4-(4-imino-1,2-dimethyl-6-quinolinyl)-1,6-dimethylpyrimidin-1-ium-2,4-diamine
OPENEYE Name: hydron; N4-(4-imino-1,2-dimethyl-6-quinolyl)-1,6-dimethyl-pyrimidin-1-ium-2,4-diamine
IUPAC Name: hydron; 4-N-(4-imino-1,2-dimethylquinolin-6-yl)-1,6-dimethylpyrimidin-1-ium-2,4-diamine
SYSTEMATIC NAME: N4-(4-azanylidene-1,2-dimethyl-quinolin-6-yl)-1,6-dimethyl-pyrimidin-1-ium-2,4-diamine; hydron
MOLECULAR FORMULA: C17H22N6+2
MOLECULAR WEIGHT: 310.39678
SMILES: [H+].CC1=CC(=N)C2=C(N1C)C=CC(=C2)NC3=NC(=[N+](C(=C3)C)C)N
Structure:

CAS RN: 152075-98-4
CAS Name: 3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1-[2-oxo-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4H-cyclopenta[b]indol-1-yl]-4H-cyclopenta[b]indol-2-one
OPENEYE Name: 3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1-[2-oxo-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4H-cyclopenta[b]indol-1-yl]-4H-cyclopenta[b]indol-2-one
IUPAC Name: 3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1-[2-oxo-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4H-cyclopenta[b]indol-1-yl]-4H-cyclopenta[b]indol-2-one
SYSTEMATIC NAME: 3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1-[2-oxidanylidene-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4H-cyclopenta[b]indol-1-yl]-4H-cyclopenta[b]indol-2-one
MOLECULAR FORMULA: C36H20N2O4
MOLECULAR WEIGHT: 544.555
SMILES: C1=CC=C2C(=C1)C3=C(C(=O)C(=C3N2)C=C4C=CC(=O)C=C4)C5=C6C7=CC=CC=C7NC6=C(C5=O)C=C8C=CC(=O)C=C8
Structure:

CAS RN: 31501-48-1
CAS Name: (1R,4aR,6aR,7R,9aS)-7,8-dimethyl-2-oxo-5-spiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]carboxylic acid
OPENEYE Name: (1R,4aR,6aR,7R,9aS)-7,8-dimethyl-2-oxo-spiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
IUPAC Name: (1R,4aR,6aR,7R,9aS)-7,8-dimethyl-2-oxospiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
SYSTEMATIC NAME: (1R,4aR,6aR,7R,9aS)-7,8-dimethyl-2-oxidanylidene-spiro[4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
MOLECULAR FORMULA: C15H16O5
MOLECULAR WEIGHT: 276.28454
SMILES: C[C@@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O
Structure:

CAS RN: 142629-81-0
CAS Name: (2S)-2-[[[3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-phenoxyphosphoryl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[[3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
IUPAC Name: methyl (2S)-2-[[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[[3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
MOLECULAR FORMULA: C20H25N6O8P
MOLECULAR WEIGHT: 508.421661
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=CC=C3)N=[N+]=[N-]
Structure:

CAS RN: 12236-95-2
CAS Name: 4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
OPENEYE Name: 4-[4-(2,4-dinitroanilino)-3-methoxy-phenyl]-N-(2,4-dinitrophenyl)-2-methoxy-aniline
IUPAC Name: 4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
SYSTEMATIC NAME: N-(2,4-dinitrophenyl)-4-[4-[(2,4-dinitrophenyl)amino]-3-methoxy-phenyl]-2-methoxy-aniline
MOLECULAR FORMULA: C26H20N6O10
MOLECULAR WEIGHT: 576.4712
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 29398-96-7
CAS Name: 4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
OPENEYE Name: 4-[4-(2,4-dinitroanilino)-3-methoxy-phenyl]-N-(2,4-dinitrophenyl)-2-methoxy-aniline
IUPAC Name: 4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
SYSTEMATIC NAME: N-(2,4-dinitrophenyl)-4-[4-[(2,4-dinitrophenyl)amino]-3-methoxy-phenyl]-2-methoxy-aniline
MOLECULAR FORMULA: C26H20N6O10
MOLECULAR WEIGHT: 576.4712
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 73560-41-5
CAS Name: 4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
OPENEYE Name: 4-[4-(2,4-dinitroanilino)-3-methoxy-phenyl]-N-(2,4-dinitrophenyl)-2-methoxy-aniline
IUPAC Name: 4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
SYSTEMATIC NAME: N-(2,4-dinitrophenyl)-4-[4-[(2,4-dinitrophenyl)amino]-3-methoxy-phenyl]-2-methoxy-aniline
MOLECULAR FORMULA: C26H20N6O10
MOLECULAR WEIGHT: 576.4712
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 77469-70-6
CAS Name: 4-methyl-3-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,3-dihydrobenzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one hydrochloride
OPENEYE Name: 4-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one hydrochloride
IUPAC Name: 4-methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one hydrochloride
SYSTEMATIC NAME: 4-methyl-3-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one hydrochloride
MOLECULAR FORMULA: C18H17ClN4O2
MOLECULAR WEIGHT: 356.80618
SMILES: CC1CC(=O)NN=C1C2=CC3=C(C=C2)NC(=C4C=CC(=O)C=C4)N3.Cl
Structure:

CAS RN: 124029-65-8
CAS Name: (E)-1-[4-[bis(carboxymethyl)amino]-2-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-2-diazonioethenolate
OPENEYE Name: (E)-1-[4-[bis(carboxymethyl)amino]-2-[2-[2-[bis(carboxymethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2-diazonio-ethenolate
IUPAC Name: (E)-1-[4-[bis(carboxymethyl)amino]-2-[2-[2-[bis(carboxymethyl)amino]-5-methylphenoxy]ethoxy]phenyl]-2-diazonioethenolate
SYSTEMATIC NAME: (E)-1-[4-[bis(2-hydroxy-2-oxoethyl)amino]-2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]-5-methyl-phenoxy]ethoxy]phenyl]-2-diazonio-ethenolate
MOLECULAR FORMULA: C25H26N4O11
MOLECULAR WEIGHT: 558.49414
SMILES: CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)N(CC(=O)O)CC(=O)O)/C(=C\[N+]#N)/[O-]
Structure:

CAS RN: 53213-90-4
CAS Name: (2Z)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
OPENEYE Name: (2Z)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
IUPAC Name: (2Z)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
SYSTEMATIC NAME: (2Z)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole iodide
MOLECULAR FORMULA: C25H27IN2O2
MOLECULAR WEIGHT: 514.39855
SMILES: CCCN\1C2=CC=CC=C2O/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCC.[I-]
Structure:

CAS RN: 83861-02-3
CAS Name: (2S)-2-[[(2S)-1-(2-carboxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(1S)-1-benzyl-2-(2-carboxyethylamino)-2-oxo-ethyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-(2-carboxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-(3-hydroxy-3-oxopropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C21H24N2O5
MOLECULAR WEIGHT: 384.42566
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)O)N[C@@H](CC2=CC=CC=C2)C(=O)O
Structure:

CAS RN: 110881-59-9
CAS Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-3-mercaptopropanoic acid
OPENEYE Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid
IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid
MOLECULAR FORMULA: C32H44N6O8S
MOLECULAR WEIGHT: 672.79216
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:

CAS RN: 13497-85-3
CAS Name: cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide
OPENEYE Name: cobaltic 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxo-ethyl)-3,13-bis(3-amino-3-oxo-propyl)-17-[3-(2-hydroxypropylamino)-3-oxo-propyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide
IUPAC Name: cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide
SYSTEMATIC NAME: cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-azanyl-2-oxidanylidene-ethyl)-3,13-bis(3-azanyl-3-oxidanylidene-propyl)-1,2,5,7,12,12,15,17-octamethyl-17-[3-oxidanylidene-3-(2-oxidanylpropylamino)propyl]-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide
MOLECULAR FORMULA: C48H72CoN11O8+2
MOLECULAR WEIGHT: 990.08738
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)O.[Co+3]
Structure:

CAS RN: 7085-55-4
CAS Name: 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(2-hydroxyethyloxy)phenyl]-7-(2-hydroxyethyloxy)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C33H42O19
MOLECULAR WEIGHT: 742.67518
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O
Structure:

CAS RN: 88992-32-9
CAS Name: manganese(3+); 4-[10,15,20-tris(4-sulfonatophenyl)-5-porphyrin-22,23-diidyl]benzenesulfonate
OPENEYE Name: manganic 4-[10,15,20-tris(4-sulfonatophenyl)porphyrin-22,23-diid-5-yl]benzenesulfonate
IUPAC Name: manganese(3+); 4-[10,15,20-tris(4-sulfonatophenyl)porphyrin-22,23-diid-5-yl]benzenesulfonate
SYSTEMATIC NAME: manganese(3+); 4-[10,15,20-tris(4-sulfonatophenyl)porphyrin-22,23-diid-5-yl]benzenesulfonate
MOLECULAR FORMULA: C44H24MnN4O12S4-3
MOLECULAR WEIGHT: 983.879009
SMILES: C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)[O-])C8=CC=C(C=C8)S(=O)(=O)[O-])C9=CC=C(C=C9)S(=O)(=O)[O-])[N-]3)S(=O)(=O)[O-].[Mn+3]
Structure:

CAS RN: 79484-89-2
CAS Name: (2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-(2-amino-7-methyl-4-oxo-1H-pteridin-6-yl)ethyl]amino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxypentanedioic acid
OPENEYE Name: (2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-(2-amino-7-methyl-4-oxo-1H-pteridin-6-yl)ethyl]amino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid
IUPAC Name: (2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-(2-amino-7-methyl-4-oxo-1H-pteridin-6-yl)ethyl]amino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxypentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-(2-azanyl-7-methyl-4-oxidanylidene-1H-pteridin-6-yl)ethyl]amino]phenyl]-2,3,4-tris(oxidanyl)pentoxy]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxypentanedioic acid
MOLECULAR FORMULA: C30H41N6O16P
MOLECULAR WEIGHT: 772.650901
SMILES: CC1=NC2=C(C(=O)N=C(N2)N)N=C1[C@@H](C)NC3=CC=C(C=C3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O
Structure:

CAS RN: 65144-34-5
CAS Name: 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(3S)-1-chloro-4-methyl-2-oxopentan-3-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid methyl ester
OPENEYE Name: methyl 4-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-3-chloro-1-isopropyl-2-oxo-propyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoate
IUPAC Name: methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(3S)-1-chloro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate
SYSTEMATIC NAME: methyl 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(3S)-1-chloranyl-4-methyl-2-oxidanylidene-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C22H35ClN4O7
MOLECULAR WEIGHT: 502.9889
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)CCl)NC(=O)CCC(=O)OC
Structure:

CAS RN: 64724-75-0
CAS Name: (4Z)-4-[(2E,4E)-5-(5-oxo-3-propyl-2H-isoxazol-4-yl)penta-2,4-dienylidene]-3-propyl-5-isoxazolone
OPENEYE Name: (4Z)-4-[(2E,4E)-5-(5-oxo-3-propyl-2H-isoxazol-4-yl)penta-2,4-dienylidene]-3-propyl-isoxazol-5-one
IUPAC Name: (4Z)-4-[(2E,4E)-5-(5-oxo-3-propyl-2H-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-propyl-1,2-oxazol-5-one
SYSTEMATIC NAME: (4Z)-4-[(2E,4E)-5-(5-oxidanylidene-3-propyl-2H-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-propyl-1,2-oxazol-5-one
MOLECULAR FORMULA: C17H20N2O4
MOLECULAR WEIGHT: 316.3517
SMILES: CCCC1=C(C(=O)ON1)/C=C/C=C/C=C\2/C(=NOC2=O)CCC
Structure:

CAS RN: 128007-95-4
CAS Name: [[4-(2-amino-4-oxo-5,8-dihydro-1H-pteridin-6-yl)-2-hydroxy-3,4-bis(sulfanylidene)butoxy]-hydroxyphosphoryl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate
OPENEYE Name: [[4-(2-amino-4-oxo-5,8-dihydro-1H-pteridin-6-yl)-2-hydroxy-3,4-dithioxo-butoxy]-hydroxy-phosphoryl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
IUPAC Name: [[4-(2-amino-4-oxo-5,8-dihydro-1H-pteridin-6-yl)-2-hydroxy-3,4-bis(sulfanylidene)butoxy]-hydroxyphosphoryl] [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [[4-(2-azanyl-4-oxidanylidene-5,8-dihydro-1H-pteridin-6-yl)-2-oxidanyl-3,4-bis(sulfanylidene)butoxy]-oxidanyl-phosphoryl] [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C20H24N10O13P2S2
MOLECULAR WEIGHT: 738.541282
SMILES: C1=C(NC2=C(N1)NC(=NC2=O)N)C(=S)C(=S)C(COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O)O
Structure:

CAS RN: 2444-65-7
CAS Name: (2Z,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
OPENEYE Name: (2Z,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene]-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
IUPAC Name: (2Z,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4aS,5aS,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
MOLECULAR FORMULA: C20H19NO8
MOLECULAR WEIGHT: 401.36676
SMILES: C[C@@]1([C@H]2C[C@H]3CC(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O
Structure:

CAS RN: 121912-19-4
CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]butanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]propanoyl]amino]butanedioic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]butanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2R)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]propanoyl]amino]butanedioic acid
MOLECULAR FORMULA: C18H24N4O7
MOLECULAR WEIGHT: 408.40576
SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CN
Structure:

CAS RN: 29245-44-1
CAS Name: (2Z)-5-bromo-2-(5-bromo-4-chloro-3-oxo-1H-indol-2-ylidene)-4-chloro-1H-indol-3-one
OPENEYE Name: (2Z)-5-bromo-2-(5-bromo-4-chloro-3-oxo-indolin-2-ylidene)-4-chloro-indolin-3-one
IUPAC Name: (2Z)-5-bromo-2-(5-bromo-4-chloro-3-oxo-1H-indol-2-ylidene)-4-chloro-1H-indol-3-one
SYSTEMATIC NAME: (2Z)-5-bromanyl-2-(5-bromanyl-4-chloranyl-3-oxidanylidene-1H-indol-2-ylidene)-4-chloranyl-1H-indol-3-one
MOLECULAR FORMULA: C16H6Br2Cl2N2O2
MOLECULAR WEIGHT: 488.94504
SMILES: C1=CC(=C(C2=C1N/C(=C\3/C(=O)C4=C(N3)C=CC(=C4Cl)Br)/C2=O)Cl)Br
Structure:

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