Saturday, December 31, 2011

http://ChemLookup.com Compounds




CAS RN: 4244-52-4
CAS Name: (6-amino-2-methyl-7H-purin-8-yl)-phenylmethanol
OPENEYE Name: (6-amino-2-methyl-7H-purin-8-yl)-phenyl-methanol
IUPAC Name: (6-amino-2-methyl-7H-purin-8-yl)-phenylmethanol
SYSTEMATIC NAME: (6-azanyl-2-methyl-7H-purin-8-yl)-phenyl-methanol
MOLECULAR FORMULA: C13H13N5O
MOLECULAR WEIGHT: 255.27522
SMILES: CC1=NC2=C(C(=N1)N)NC(=N2)C(C3=CC=CC=C3)O
Structure:

CAS RN: 80188-99-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H56O8
MOLECULAR WEIGHT: 688.88924
SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C=C(C)C=CC=C(C)C=CC5=C(CCCC5(C)C)C
Structure:

CAS RN: 3355-27-9
CAS Name: 2-[2,3-bis(1-oxopentadecoxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium
OPENEYE Name: 2-[2,3-di(pentadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
IUPAC Name: 2-[2,3-di(pentadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
SYSTEMATIC NAME: 2-[2,3-di(pentadecanoyloxy)propoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
MOLECULAR FORMULA: C38H77NO8P+
MOLECULAR WEIGHT: 706.993641
SMILES: CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
Structure:

CAS RN: 5454-37-5
CAS Name: 1-(2-phenylethyl)-3-(2-pyrimidinyl)thiourea
OPENEYE Name: 1-(2-phenylethyl)-3-pyrimidin-2-yl-thiourea
IUPAC Name: 1-(2-phenylethyl)-3-pyrimidin-2-ylthiourea
SYSTEMATIC NAME: 1-(2-phenylethyl)-3-pyrimidin-2-yl-thiourea
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: C1=CC=C(C=C1)CCNC(=S)NC2=NC=CC=N2
Structure:

CAS RN: 74607-16-2
CAS Name: 5-ethyl-5-(1-methylethenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-ethyl-5-isopropenyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-ethyl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-ethyl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C9H12N2O2S
MOLECULAR WEIGHT: 212.26878
SMILES: CCC1(C(=O)NC(=S)NC1=O)C(=C)C
Structure:

CAS RN: 20306-91-6
CAS Name: 1-(2-hydroxyethyl)-3-prop-2-enyl-1-[2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]ethyl]thiourea
OPENEYE Name: 3-allyl-1-[2-(allylcarbamothioylamino)ethyl]-1-(2-hydroxyethyl)thiourea
IUPAC Name: 1-(2-hydroxyethyl)-3-prop-2-enyl-1-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-prop-2-enyl-1-[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea
MOLECULAR FORMULA: C12H22N4OS2
MOLECULAR WEIGHT: 302.45928
SMILES: C=CCNC(=S)NCCN(CCO)C(=S)NCC=C
Structure:

CAS RN: 4328-17-0
CAS Name: 2,4,6-trinitrobenzene-1,3,5-triol
OPENEYE Name: 2,4,6-trinitrobenzene-1,3,5-triol
IUPAC Name: 2,4,6-trinitrobenzene-1,3,5-triol
SYSTEMATIC NAME: 2,4,6-trinitrobenzene-1,3,5-triol
MOLECULAR FORMULA: C6H3N3O9
MOLECULAR WEIGHT: 261.10272
SMILES: C1(=C(C(=C(C(=C1O)[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]
Structure:

CAS RN: 5694-27-9
CAS Name: 4-cyano-3-methyl-5-[(1-oxo-2-phenylbutyl)amino]-2-thiophenecarboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 4-cyano-3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylate
IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylate
SYSTEMATIC NAME: propan-2-yl 4-cyano-3-methyl-5-(2-phenylbutanoylamino)thiophene-2-carboxylate
MOLECULAR FORMULA: C20H22N2O3S
MOLECULAR WEIGHT: 370.46528
SMILES: CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C#N
Structure:

CAS RN: 18162-04-4
CAS Name: [[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylideneamino]thiourea
OPENEYE Name: [[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methyleneamino]thiourea
IUPAC Name: [[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[4-[2-chloroethyl(2-fluoranylethyl)amino]phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C12H16ClFN4S
MOLECULAR WEIGHT: 302.798643
SMILES: C1=CC(=CC=C1C=NNC(=S)N)N(CCF)CCCl
Structure:

CAS RN: 5155-09-9
CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinediazonium
OPENEYE Name: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-diazonium
IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-diazonium
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidine-5-diazonium
MOLECULAR FORMULA: C9H11N4O5+
MOLECULAR WEIGHT: 255.20744
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)[N+]#N)CO)O
Structure:

CAS RN: 56768-54-8
CAS Name: 4-(phenylsulfamoyl)benzenecarbothioamide
OPENEYE Name: 4-(phenylsulfamoyl)benzenecarbothioamide
IUPAC Name: 4-(phenylsulfamoyl)benzenecarbothioamide
SYSTEMATIC NAME: 4-(phenylsulfamoyl)benzenecarbothioamide
MOLECULAR FORMULA: C13H12N2O2S2
MOLECULAR WEIGHT: 292.37658
SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=S)N
Structure:

CAS RN: 174006-71-4
CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxaldehyde
OPENEYE Name: 2-(4-methoxyphenyl)thiazole-4-carbaldehyde
IUPAC Name: 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
MOLECULAR FORMULA: C11H9NO2S
MOLECULAR WEIGHT: 219.25966
SMILES: COC1=CC=C(C=C1)C2=NC(=CS2)C=O
Structure:

CAS RN: 7463-85-6
CAS Name: 6-azido-7-nitro-2,3-diphenylquinoxaline
OPENEYE Name: 6-azido-7-nitro-2,3-diphenyl-quinoxaline
IUPAC Name: 6-azido-7-nitro-2,3-diphenylquinoxaline
SYSTEMATIC NAME: 6-azido-7-nitro-2,3-diphenyl-quinoxaline
MOLECULAR FORMULA: C20H12N6O2
MOLECULAR WEIGHT: 368.34828
SMILES: C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])N=[N+]=[N-]
Structure:

CAS RN: 60663-65-2
CAS Name: 6-amino-N-ethyl-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinecarbothioamide
OPENEYE Name: 6-amino-1-benzyl-N-ethyl-2,4-dioxo-pyrimidine-5-carbothioamide
IUPAC Name: 6-amino-1-benzyl-N-ethyl-2,4-dioxopyrimidine-5-carbothioamide
SYSTEMATIC NAME: 6-azanyl-N-ethyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidine-5-carbothioamide
MOLECULAR FORMULA: C14H16N4O2S
MOLECULAR WEIGHT: 304.36744
SMILES: CCNC(=S)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N
Structure:

CAS RN: 72812-45-4
CAS Name: 5-bromo-4-sulfanylidene-1H-pyrimidin-2-one
OPENEYE Name: 5-bromo-4-thioxo-1H-pyrimidin-2-one
IUPAC Name: 5-bromo-4-sulfanylidene-1H-pyrimidin-2-one
SYSTEMATIC NAME: 5-bromanyl-4-sulfanylidene-1H-pyrimidin-2-one
MOLECULAR FORMULA: C4H3BrN2OS
MOLECULAR WEIGHT: 207.04842
SMILES: C1=C(C(=S)NC(=O)N1)Br
Structure:

CAS RN: 90415-09-1
CAS Name: 6,7-diazidoquinoline-5,8-dione
OPENEYE Name: 6,7-diazidoquinoline-5,8-dione
IUPAC Name: 6,7-diazidoquinoline-5,8-dione
SYSTEMATIC NAME: 6,7-diazidoquinoline-5,8-dione
MOLECULAR FORMULA: C9H3N7O2
MOLECULAR WEIGHT: 241.16582
SMILES: C1=CC2=C(C(=O)C(=C(C2=O)N=[N+]=[N-])N=[N+]=[N-])N=C1
Structure:

CAS RN: 6312-74-9
CAS Name: 6-amino-5-bromo-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-amino-5-bromo-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-amino-5-bromo-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-5-bromanyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C4H4BrN3OS
MOLECULAR WEIGHT: 222.06306
SMILES: C1(=C(NC(=S)NC1=O)N)Br
Structure:

CAS RN: 18667-43-1
CAS Name: 1-methyl-3-[15-[[methylamino(sulfanylidene)methyl]hydrazinylidene]hexadecan-2-ylideneamino]thiourea
OPENEYE Name: 1-methyl-3-[[1-methyl-14-(methylcarbamothioylhydrazono)pentadecylidene]amino]thiourea
IUPAC Name: 1-methyl-3-[15-(methylcarbamothioylhydrazinylidene)hexadecan-2-ylideneamino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[15-(methylcarbamothioylhydrazinylidene)hexadecan-2-ylideneamino]thiourea
MOLECULAR FORMULA: C20H40N6S2
MOLECULAR WEIGHT: 428.7018
SMILES: CC(=NNC(=S)NC)CCCCCCCCCCCCC(=NNC(=S)NC)C
Structure:

CAS RN: 82588-48-5
CAS Name: [[6-(4-methylphenyl)-5-imidazo[2,1-b]thiazolyl]methylideneamino]thiourea
OPENEYE Name: [[6-(p-tolyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]thiourea
IUPAC Name: [[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C14H13N5S2
MOLECULAR WEIGHT: 315.41652
SMILES: CC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=NNC(=S)N
Structure:

CAS RN: 69659-17-2
CAS Name: N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)formamide
OPENEYE Name: N-(5-thioxo-1H-1,2,4-triazol-4-yl)formamide
IUPAC Name: N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)formamide
SYSTEMATIC NAME: N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)methanamide
MOLECULAR FORMULA: C3H4N4OS
MOLECULAR WEIGHT: 144.15506
SMILES: C1=NNC(=S)N1NC=O
Structure:

CAS RN: 7752-55-8
CAS Name: 7-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione
OPENEYE Name: 7-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione
IUPAC Name: 7-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione
SYSTEMATIC NAME: 7-methyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione
MOLECULAR FORMULA: C7H7N3S
MOLECULAR WEIGHT: 165.21558
SMILES: CN1C=CC2=C1NC=NC2=S
Structure:

CAS RN: 39757-34-1
CAS Name: 4-(4-fluorophenyl)-2,4-dioxobutanoic acid methyl ester
OPENEYE Name: methyl 4-(4-fluorophenyl)-2,4-dioxo-butanoate
IUPAC Name: methyl 4-(4-fluorophenyl)-2,4-dioxobutanoate
SYSTEMATIC NAME: methyl 4-(4-fluorophenyl)-2,4-bis(oxidanylidene)butanoate
MOLECULAR FORMULA: C11H9FO4
MOLECULAR WEIGHT: 224.185163
SMILES: COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)F
Structure:

CAS RN: 7404-18-4
CAS Name: 1-(7-methoxy-5-quinolinyl)-3-(4-sulfamoylphenyl)thiourea
OPENEYE Name: 1-(7-methoxy-5-quinolyl)-3-(4-sulfamoylphenyl)thiourea
IUPAC Name: 1-(7-methoxyquinolin-5-yl)-3-(4-sulfamoylphenyl)thiourea
SYSTEMATIC NAME: 1-(7-methoxyquinolin-5-yl)-3-(4-sulfamoylphenyl)thiourea
MOLECULAR FORMULA: C17H16N4O3S2
MOLECULAR WEIGHT: 388.46394
SMILES: COC1=CC(=C2C=CC=NC2=C1)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N
Structure:

CAS RN: 7404-15-1
CAS Name: 1-(4-sulfamoylphenyl)-3-[4-(2-thiazolylsulfamoyl)phenyl]thiourea
OPENEYE Name: 1-(4-sulfamoylphenyl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea
IUPAC Name: 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
SYSTEMATIC NAME: 1-(4-sulfamoylphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
MOLECULAR FORMULA: C16H15N5O4S4
MOLECULAR WEIGHT: 469.5814
SMILES: C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)S(=O)(=O)N
Structure:

CAS RN: 126501-70-0
CAS Name: 1-(2,2,2-trifluoro-1-oxoethyl)-4-piperidinecarboxylic acid
OPENEYE Name: 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-[2,2,2-tris(fluoranyl)ethanoyl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C8H10F3NO3
MOLECULAR WEIGHT: 225.16511
SMILES: C1CN(CCC1C(=O)O)C(=O)C(F)(F)F
Structure:

CAS RN: 77168-24-2
CAS Name: 1-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-(phenylmethyl)thiourea
OPENEYE Name: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-benzyl-thiourea
IUPAC Name: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-benzylthiourea
SYSTEMATIC NAME: 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C17H17N5OS2
MOLECULAR WEIGHT: 371.47978
SMILES: C1=CC=C(C=C1)CNC(=S)NNC(=O)CSC2=NC3=CC=CC=C3N2
Structure:

CAS RN: 327-20-8
CAS Name: 6-(trifluoromethyl)-1H-indole-2-carboxylic acid
OPENEYE Name: 6-(trifluoromethyl)-1H-indole-2-carboxylic acid
IUPAC Name: 6-(trifluoromethyl)-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 6-(trifluoromethyl)-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C10H6F3NO2
MOLECULAR WEIGHT: 229.15535
SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=C2)C(=O)O
Structure:

CAS RN: 57294-97-0
CAS Name: 1-[(4-chlorophenyl)methyl]-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-[(4-chlorophenyl)methyl]thiourea
IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C11H13ClN2S
MOLECULAR WEIGHT: 240.75232
SMILES: C=CCNC(=S)NCC1=CC=C(C=C1)Cl
Structure:

CAS RN: 89598-68-5
CAS Name: 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-amino-5-(2-hydroxyethyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-amino-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-5-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C6H9N3O2S
MOLECULAR WEIGHT: 187.21956
SMILES: C(CO)C1=C(NC(=S)NC1=O)N
Structure:

CAS RN: 5357-83-5
CAS Name: 1-(4-phenoxyphenyl)sulfonylpyrrolidine
OPENEYE Name: 1-(4-phenoxyphenyl)sulfonylpyrrolidine
IUPAC Name: 1-(4-phenoxyphenyl)sulfonylpyrrolidine
SYSTEMATIC NAME: 1-(4-phenoxyphenyl)sulfonylpyrrolidine
MOLECULAR FORMULA: C16H17NO3S
MOLECULAR WEIGHT: 303.37608
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
Structure:

CAS RN: 31899-59-9
CAS Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-indazolecarbothioamide
OPENEYE Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]indazole-3-carbothioamide
IUPAC Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]indazole-3-carbothioamide
SYSTEMATIC NAME: 2-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]indazole-3-carbothioamide
MOLECULAR FORMULA: C13H15N3O4S
MOLECULAR WEIGHT: 309.3409
SMILES: C1=CC2=C(N(N=C2C=C1)C3C(C(C(O3)CO)O)O)C(=S)N
Structure:

CAS RN: 51984-25-9
CAS Name: 2-ethoxyacetic acid [6-[(carbamothioylhydrazinylidene)methyl]-3-pyridinyl] ester
OPENEYE Name: [6-[(carbamothioylhydrazono)methyl]-3-pyridyl] 2-ethoxyacetate
IUPAC Name: [6-[(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-ethoxyacetate
SYSTEMATIC NAME: [6-[(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-ethoxyethanoate
MOLECULAR FORMULA: C11H14N4O3S
MOLECULAR WEIGHT: 282.31886
SMILES: CCOCC(=O)OC1=CN=C(C=C1)C=NNC(=S)N
Structure:

CAS RN: 925-58-6
CAS Name: N-(2-aminoethyl)propanamide
OPENEYE Name: N-(2-aminoethyl)propanamide
IUPAC Name: N-(2-aminoethyl)propanamide
SYSTEMATIC NAME: N-(2-azanylethyl)propanamide
MOLECULAR FORMULA: C5H12N2O
MOLECULAR WEIGHT: 116.16158
SMILES: CCC(=O)NCCN
Structure:

CAS RN: 110590-64-2
CAS Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid
OPENEYE Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: 2-[[2-[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C26H42N8O8
MOLECULAR WEIGHT: 594.66048
SMILES: CCC(C)C(C(=O)NCC(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N
Structure:

CAS RN: 70023-02-8
CAS Name: 4-[[1-[[1-[[1-[[6-amino-1-(2-naphthalenylamino)-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[(2-amino-1-oxoethyl)amino]-4-oxobutanoic acid
OPENEYE Name: 3-[(2-aminoacetyl)amino]-4-[[2-[[2-[[2-[[5-amino-1-(2-naphthylcarbamoyl)pentyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: 3-[(2-aminoacetyl)amino]-4-[[1-[[1-[[1-[[6-amino-1-(naphthalen-2-ylamino)-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 3-(2-azanylethanoylamino)-4-[[1-[[1-[[1-[[6-azanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl
MOLECULAR FORMULA: C34H44N8O14
MOLECULAR WEIGHT: 788.75836
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CN
Structure:

CAS RN: 75175-09-6
CAS Name: 4-(4-acetyloxyphenyl)benzoate
OPENEYE Name: 4-(4-acetoxyphenyl)benzoate
IUPAC Name: 4-(4-acetyloxyphenyl)benzoate
SYSTEMATIC NAME: 4-(4-acetyloxyphenyl)benzoate
MOLECULAR FORMULA: C15H11O4-
MOLECULAR WEIGHT: 255.24544
SMILES: CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-]
Structure:

CAS RN: 5773-80-8
CAS Name: 6-bromo-2-naphthalenecarboxylic acid
OPENEYE Name: 6-bromonaphthalene-2-carboxylic acid
IUPAC Name: 6-bromonaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 6-bromanylnaphthalene-2-carboxylic acid
MOLECULAR FORMULA: C11H7BrO2
MOLECULAR WEIGHT: 251.07608
SMILES: C1=CC2=C(C=CC(=C2)Br)C=C1C(=O)O
Structure:

CAS RN: 28098-92-2
CAS Name: calcium 3,4,5,6-tetrahydroxy-2-oxohexanoate
OPENEYE Name: calcium 3,4,5,6-tetrahydroxy-2-oxo-hexanoate
IUPAC Name: calcium 3,4,5,6-tetrahydroxy-2-oxohexanoate
SYSTEMATIC NAME: calcium 3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoate
MOLECULAR FORMULA: C12H18CaO14
MOLECULAR WEIGHT: 426.34092
SMILES: C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.[Ca+2]
Structure:

CAS RN: 3470-37-9
CAS Name: calcium 3,4,5,6-tetrahydroxy-2-oxohexanoate
OPENEYE Name: calcium 3,4,5,6-tetrahydroxy-2-oxo-hexanoate
IUPAC Name: calcium 3,4,5,6-tetrahydroxy-2-oxohexanoate
SYSTEMATIC NAME: calcium 3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoate
MOLECULAR FORMULA: C12H18CaO14
MOLECULAR WEIGHT: 426.34092
SMILES: C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.[Ca+2]
Structure:

No comments:

Post a Comment