CAS RN: 106372-19-4
CAS Name: N-carbamoyl-N-phenylcarbamic acid propan-2-yl ester
OPENEYE Name: isopropyl N-carbamoyl-N-phenyl-carbamate
IUPAC Name: propan-2-yl N-carbamoyl-N-phenylcarbamate
SYSTEMATIC NAME: propan-2-yl N-aminocarbonyl-N-phenyl-carbamate
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: CC(C)OC(=O)N(C1=CC=CC=C1)C(=O)N
Structure:
CAS RN: 106362-27-0
CAS Name: N-[4-(1-methyl-4-pyridin-1-iumyl)phenyl]acetamide
OPENEYE Name: N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]acetamide
IUPAC Name: N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]ethanamide
MOLECULAR FORMULA: C14H15N2O+
MOLECULAR WEIGHT: 227.2817
SMILES: CC(=O)NC1=CC=C(C=C1)C2=CC=[N+](C=C2)C
Structure:
CAS RN: 120908-94-3
CAS Name: 6-(1-quinolin-1-iumyl)hexanoic acid (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl ester bromide
OPENEYE Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate bromide
IUPAC Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate bromide
SYSTEMATIC NAME: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate bromide
MOLECULAR FORMULA: C37H60BrNO4
MOLECULAR WEIGHT: 662.7806
SMILES: CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCCCC[N+]2=CC=CC3=CC=CC=C32)C.[Br-]
Structure:
CAS RN: 120901-49-7
CAS Name: 2-methylpropanoic acid [(1S,3S,4R)-1,2-diacetyloxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] ester
OPENEYE Name: [(1S,3S,4R)-1,2-diacetoxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate
IUPAC Name: [(1S,3S,4R)-1,2-diacetyloxy-5-cyano-3,7-dihydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate
SYSTEMATIC NAME: [(1S,3S,4R)-1,2-diacetyloxy-5-cyano-3-methyl-3,7-bis(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate
MOLECULAR FORMULA: C26H24N2O10
MOLECULAR WEIGHT: 524.47616
SMILES: CC(C)C(=O)O[C@@H]1C2=C([C@@H](C([C@@]1(C)O)OC(=O)C)OC(=O)C)C3=C(N2C#N)C(=O)C4=C(C3=O)C=CC=C4O
Structure:
CAS RN: 120901-48-6
CAS Name: 2-methylpropanoic acid [(1S,3S,4S)-1,2,4-triacetyloxy-5-cyano-7-hydroxy-3-methyl-6,11-dioxo-2,3-dihydro-1H-benzo[h]carbazol-4-yl] ester
OPENEYE Name: [(1S,3S,4S)-1,2,4-triacetoxy-5-cyano-7-hydroxy-3-methyl-6,11-dioxo-2,3-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate
IUPAC Name: [(1S,3S,4S)-1,2,4-triacetyloxy-5-cyano-7-hydroxy-3-methyl-6,11-dioxo-2,3-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate
SYSTEMATIC NAME: [(1S,3S,4S)-1,2,4-triacetyloxy-5-cyano-3-methyl-7-oxidanyl-6,11-bis(oxidanylidene)-2,3-dihydro-1H-benzo[h]carbazol-4-yl] 2-methylpropanoate
MOLECULAR FORMULA: C28H26N2O11
MOLECULAR WEIGHT: 566.51284
SMILES: C[C@H]1C([C@H](C2=C([C@@]1(OC(=O)C)OC(=O)C(C)C)N(C3=C2C(=O)C4=C(C3=O)C(=CC=C4)O)C#N)OC(=O)C)OC(=O)C
Structure:
CAS RN: 120876-49-5
CAS Name: 7-chloro-1-ethyl-6-fluoro-4-oxo-3-pyrido[2,3-c]pyridazinecarboxylic acid
OPENEYE Name: 7-chloro-1-ethyl-6-fluoro-4-oxo-pyrido[2,3-c]pyridazine-3-carboxylic acid
IUPAC Name: 7-chloro-1-ethyl-6-fluoro-4-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
SYSTEMATIC NAME: 7-chloranyl-1-ethyl-6-fluoranyl-4-oxidanylidene-pyrido[2,3-c]pyridazine-3-carboxylic acid
MOLECULAR FORMULA: C10H7ClFN3O3
MOLECULAR WEIGHT: 271.632283
SMILES: CCN1C2=NC(=C(C=C2C(=O)C(=N1)C(=O)O)F)Cl
Structure:
CAS RN: 120876-04-2
CAS Name: 7-ethenoxy-1-benzopyran-2-one
OPENEYE Name: 7-vinyloxychromen-2-one
IUPAC Name: 7-ethenoxychromen-2-one
SYSTEMATIC NAME: 7-ethenoxychromen-2-one
MOLECULAR FORMULA: C11H8O3
MOLECULAR WEIGHT: 188.17942
SMILES: C=COC1=CC2=C(C=C1)C=CC(=O)O2
Structure:
CAS RN: 120853-61-4
CAS Name: [[(2R,3S,4R,5R)-5-[5-[[2-(4-azidophenyl)-2-oxoethyl]thio]-2,4-dioxo-1-pyrimidinyl]-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-[5-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-2,4-dioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-[5-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[5-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C17H20N5O16P3S
MOLECULAR WEIGHT: 675.350883
SMILES: C1=CC(=CC=C1C(=O)CSC2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=[N+]=[N-]
Structure:
CAS RN: 68462-55-5
CAS Name: (4S)-4-amino-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: C(CC(=O)O)[C@@H](C=O)N
Structure:
CAS RN: 68455-08-3
CAS Name: 3,9-dihydroxy-1,7-dimethyl-2-(3-methylbut-2-enyl)-6-oxo-10-benzo[b][1,4]benzodioxepincarboxaldehyde
OPENEYE Name: 3,9-dihydroxy-1,7-dimethyl-2-(3-methylbut-2-enyl)-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde
IUPAC Name: 3,9-dihydroxy-1,7-dimethyl-2-(3-methylbut-2-enyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
SYSTEMATIC NAME: 1,7-dimethyl-2-(3-methylbut-2-enyl)-3,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-10-carbaldehyde
MOLECULAR FORMULA: C21H20O6
MOLECULAR WEIGHT: 368.3799
SMILES: CC1=CC(=C(C2=C1C(=O)OC3=CC(=C(C(=C3O2)C)CC=C(C)C)O)C=O)O
Structure:
CAS RN: 68437-32-1
CAS Name: 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol
OPENEYE Name: 2,2-dichloro-N-(4-hydroxyphenyl)-N-methyl-acetamide; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol
IUPAC Name: 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
SYSTEMATIC NAME: 2,2-bis(chloranyl)-N-(4-hydroxyphenyl)-N-methyl-ethanamide; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol
MOLECULAR FORMULA: C15H18Cl2N4O5
MOLECULAR WEIGHT: 405.23322
SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-].CN(C1=CC=C(C=C1)O)C(=O)C(Cl)Cl
Structure:
CAS RN: 68373-09-1
CAS Name: 3-(carboxymethylthio)-2-hydroxypropanoic acid
OPENEYE Name: 3-(carboxymethylsulfanyl)-2-hydroxy-propanoic acid
IUPAC Name: 3-(carboxymethylsulfanyl)-2-hydroxypropanoic acid
SYSTEMATIC NAME: 3-(2-hydroxy-2-oxoethylsulfanyl)-2-oxidanyl-propanoic acid
MOLECULAR FORMULA: C5H8O5S
MOLECULAR WEIGHT: 180.17902
SMILES: C(C(C(=O)O)O)SCC(=O)O
Structure:
CAS RN: 68365-90-2
CAS Name: (2S,4aS,5R,8aR)-2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
OPENEYE Name: (2S,4aS,5R,8aR)-2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
IUPAC Name: (2S,4aS,5R,8aR)-2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SYSTEMATIC NAME: (2S,4aS,5R,8aR)-2,5-dipropyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
MOLECULAR FORMULA: C15H29N
MOLECULAR WEIGHT: 223.39746
SMILES: CCC[C@@H]1CCC[C@@H]2[C@H]1CC[C@@H](N2)CCC
Structure:
CAS RN: 69199-05-9
CAS Name: N'-(6-methoxy-4-methyl-8-quinolinyl)pentane-1,5-diamine
OPENEYE Name: N'-(6-methoxy-4-methyl-8-quinolyl)pentane-1,5-diamine
IUPAC Name: N'-(6-methoxy-4-methylquinolin-8-yl)pentane-1,5-diamine
SYSTEMATIC NAME: N'-(6-methoxy-4-methyl-quinolin-8-yl)pentane-1,5-diamine
MOLECULAR FORMULA: C16H23N3O
MOLECULAR WEIGHT: 273.37332
SMILES: CC1=C2C=C(C=C(C2=NC=C1)NCCCCCN)OC
Structure:
CAS RN: 68975-68-8
CAS Name: N,N-dimethyl-N',N'-bis(phenylmethyl)ethane-1,2-diamine
OPENEYE Name: N',N'-dibenzyl-N,N-dimethyl-ethane-1,2-diamine
IUPAC Name: N',N'-dibenzyl-N,N-dimethylethane-1,2-diamine
SYSTEMATIC NAME: N,N-dimethyl-N',N'-bis(phenylmethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C18H24N2
MOLECULAR WEIGHT: 268.39656
SMILES: CN(C)CCN(CC1=CC=CC=C1)CC2=CC=CC=C2
Structure:
CAS RN: 68121-46-0
CAS Name: 1,3-dichloro-5-(methylthio)benzene
OPENEYE Name: 1,3-dichloro-5-methylsulfanyl-benzene
IUPAC Name: 1,3-dichloro-5-methylsulfanylbenzene
SYSTEMATIC NAME: 1,3-bis(chloranyl)-5-methylsulfanyl-benzene
MOLECULAR FORMULA: C7H6Cl2S
MOLECULAR WEIGHT: 193.09354
SMILES: CSC1=CC(=CC(=C1)Cl)Cl
Structure:
CAS RN: 68107-26-6
CAS Name: N-methyl-N-undecylnitrous amide
OPENEYE Name: N-methyl-N-undecyl-nitrous amide
IUPAC Name: N-methyl-N-undecylnitrous amide
SYSTEMATIC NAME: N-methyl-N-undecyl-nitrous amide
MOLECULAR FORMULA: C12H26N2O
MOLECULAR WEIGHT: 214.34764
SMILES: CCCCCCCCCCCN(C)N=O
Structure:
CAS RN: 68630-93-3
CAS Name: 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5,7-diol
OPENEYE Name: 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5,7-diol
IUPAC Name: 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5,7-diol
SYSTEMATIC NAME: 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5,7-diol
MOLECULAR FORMULA: C19H23NO5
MOLECULAR WEIGHT: 345.38962
SMILES: COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=CC(=C3CCN2)O)O
Structure:
CAS RN: 68556-02-5
CAS Name: 1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
OPENEYE Name: 1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
IUPAC Name: 1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
SYSTEMATIC NAME: 1-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
MOLECULAR FORMULA: C24H26Cl2N4O3
MOLECULAR WEIGHT: 489.39424
SMILES: C1CN(CCN1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
Structure:
CAS RN: 106351-84-2
CAS Name: 4-cyclohexyl-1-methyl-3,6-dihydro-2H-pyridine
OPENEYE Name: 4-cyclohexyl-1-methyl-3,6-dihydro-2H-pyridine
IUPAC Name: 4-cyclohexyl-1-methyl-3,6-dihydro-2H-pyridine
SYSTEMATIC NAME: 4-cyclohexyl-1-methyl-3,6-dihydro-2H-pyridine
MOLECULAR FORMULA: C12H21N
MOLECULAR WEIGHT: 179.30184
SMILES: CN1CCC(=CC1)C2CCCCC2
Structure:
CAS RN: 106328-28-3
CAS Name: N-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]acetamide
OPENEYE Name: N-[(4-benzyloxyphenyl)methyl]-N-hydroxy-acetamide
IUPAC Name: N-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SYSTEMATIC NAME: N-oxidanyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamide
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: CC(=O)N(CC1=CC=C(C=C1)OCC2=CC=CC=C2)O
Structure:
CAS RN: 120841-26-1
CAS Name: 2-[(2-amino-1-oxoethyl)-(2,2-dimethyl-1-oxopropyl)amino]ethyl-ethylammonium; tetraphenylboranuide
OPENEYE Name: 2-[(2-aminoacetyl)-(2,2-dimethylpropanoyl)amino]ethyl-ethyl-ammonium; tetraphenylboranuide
IUPAC Name: 2-[(2-aminoacetyl)-(2,2-dimethylpropanoyl)amino]ethyl-ethylazanium; tetraphenylboranuide
SYSTEMATIC NAME: 2-[2-azanylethanoyl(2,2-dimethylpropanoyl)amino]ethyl-ethyl-azanium; tetraphenylboranuide
MOLECULAR FORMULA: C35H44BN3O2
MOLECULAR WEIGHT: 549.55376
SMILES: [B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC[NH2+]CCN(C(=O)CN)C(=O)C(C)(C)C
Structure:
CAS RN: 120824-10-4
CAS Name: 2-[[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-thiophenyl]oxy]acetic acid
OPENEYE Name: 2-[[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-thienyl]oxy]acetic acid
IUPAC Name: 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]thiophen-2-yl]oxyacetic acid
SYSTEMATIC NAME: 2-[5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]thiophen-2-yl]oxyethanoic acid
MOLECULAR FORMULA: C14H14ClNO5S2
MOLECULAR WEIGHT: 375.84766
SMILES: C1=CC(=CC=C1S(=O)(=O)NCCC2=CC=C(S2)OCC(=O)O)Cl
Structure:
CAS RN: 106327-86-0
CAS Name: 1-[3-(4-hydroxyphenyl)-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid
OPENEYE Name: 1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid
IUPAC Name: 1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
SYSTEMATIC NAME: 1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid
MOLECULAR FORMULA: C13H13NO8S
MOLECULAR WEIGHT: 343.30922
SMILES: C1C(C(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)O)S(=O)(=O)O
Structure:
CAS RN: 120796-26-1
CAS Name: acetic acid [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] ester
OPENEYE Name: [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate
IUPAC Name: [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate
SYSTEMATIC NAME: [(1S,2R,3R,4R)-5-cyano-3-methyl-1,2,3,7-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-benzo[h]carbazol-4-yl] ethanoate
MOLECULAR FORMULA: C20H16N2O8
MOLECULAR WEIGHT: 412.34964
SMILES: CC(=O)O[C@@H]1C2=C([C@@H]([C@H]([C@@]1(C)O)O)O)C3=C(N2C#N)C(=O)C4=C(C3=O)C=CC=C4O
Structure:
CAS RN: 120796-22-7
CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-2-oxolanyl]-1-oxoethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-azanyl-3-methyl-4-oxidanyl-4-(5-oxidanylpyridin-2-yl)butanoyl]amino]-2-[5-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C25H32N6O13
MOLECULAR WEIGHT: 624.55398
SMILES: C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H](C2C(C(C(O2)C3=CNC(=O)NC3=O)O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
Structure:
CAS RN: 106314-87-8
CAS Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
OPENEYE Name: N-[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanamide
IUPAC Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SYSTEMATIC NAME: N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide
MOLECULAR FORMULA: C23H36N4O5
MOLECULAR WEIGHT: 448.55574
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC(C)C)CC(=O)NO
Structure:
CAS RN: 120775-49-7
CAS Name: (2S)-4-amino-2-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(4-sulfooxyphenyl)propyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxohexyl]-(2-phenylethyl)amino]-4-oxobuta
OPENEYE Name: (2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]-(2-phenylethyl)amino]-4-oxo-butanoic acid
IUPAC Name: (2S)-4-amino-2-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]-(2-phenylethyl)amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (2S)-4-azanyl-2-[[(2S)-2-[[(2R)-3-(1H-indol-3-yl)-2-[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]ethanoylamino]propanoyl]amino]hexanoyl]-(2-phenylethyl)amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C51H68N8O14S
MOLECULAR WEIGHT: 1049.19582
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N(CCC3=CC=CC=C3)[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 120764-43-4
CAS Name: 6-ethoxy-2-(ethylthio)-1H-benzimidazole
OPENEYE Name: 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole
IUPAC Name: 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole
SYSTEMATIC NAME: 6-ethoxy-2-ethylsulfanyl-1H-benzimidazole
MOLECULAR FORMULA: C11H14N2OS
MOLECULAR WEIGHT: 222.30666
SMILES: CCOC1=CC2=C(C=C1)N=C(N2)SCC
Structure:
CAS RN: 120729-15-9
CAS Name: 4-morpholinecarboxylic acid [(2S)-1-[[1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] ester
OPENEYE Name: [(1S)-1-benzyl-2-[[1-[[(2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl] morpholine-4-carboxylate
IUPAC Name: [(2S)-1-[[1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] morpholine-4-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[1-[[(3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl] morpholine-4-carboxylate
MOLECULAR FORMULA: C34H55N3O7
MOLECULAR WEIGHT: 617.8164
SMILES: CC(C)C[C@@H]([C@@H](C(CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)OC(=O)N3CCOCC3)O)O
Structure:
CAS RN: 120722-00-1
CAS Name: 8-[(3-azidophenyl)methoxy]-1,2,3-trimethylimidazo[1,2-a]pyridin-4-ium
OPENEYE Name: 8-[(3-azidophenyl)methoxy]-1,2,3-trimethyl-imidazo[1,2-a]pyridin-4-ium
IUPAC Name: 8-[(3-azidophenyl)methoxy]-1,2,3-trimethylimidazo[1,2-a]pyridin-4-ium
SYSTEMATIC NAME: 8-[(3-azidophenyl)methoxy]-1,2,3-trimethyl-imidazo[1,2-a]pyridin-4-ium
MOLECULAR FORMULA: C17H18N5O+
MOLECULAR WEIGHT: 308.35772
SMILES: CC1=C([N+]2=CC=CC(=C2N1C)OCC3=CC(=CC=C3)N=[N+]=[N-])C
Structure:
CAS RN: 120716-81-6
CAS Name: (2S)-N-[1-cyclohexyl-3,4-dihydroxy-5-(4-morpholinyl)pentyl]-2-[[2-(ethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanamide
OPENEYE Name: (2S)-N-(1-cyclohexyl-3,4-dihydroxy-5-morpholino-pentyl)-2-[[2-(ethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanamide
IUPAC Name: (2S)-N-(1-cyclohexyl-3,4-dihydroxy-5-morpholin-4-ylpentyl)-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanamide
SYSTEMATIC NAME: (2S)-N-[1-cyclohexyl-5-morpholin-4-yl-3,4-bis(oxidanyl)pentyl]-2-[[2-(ethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanamide
MOLECULAR FORMULA: C37H57N3O7S
MOLECULAR WEIGHT: 687.92938
SMILES: CCCC[C@@H](C(=O)NC(CC(C(CN1CCOCC1)O)O)C2CCCCC2)NC(=O)C(CC3=CC=CC4=CC=CC=C43)CS(=O)(=O)CC
Structure:
CAS RN: 120685-95-2
CAS Name: 8-chloro-5-(4-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
OPENEYE Name: 8-chloro-5-(4-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
IUPAC Name: 8-chloro-5-(4-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SYSTEMATIC NAME: 8-chloranyl-5-(4-iodophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
MOLECULAR FORMULA: C17H17ClINO
MOLECULAR WEIGHT: 413.68045
SMILES: CN1CCC2=CC(=C(C=C2C(C1)C3=CC=C(C=C3)I)O)Cl
Structure:
CAS RN: 120676-01-9
CAS Name: 3-hydroxy-7-octenoic acid
OPENEYE Name: 3-hydroxyoct-7-enoic acid
IUPAC Name: 3-hydroxyoct-7-enoic acid
SYSTEMATIC NAME: 3-oxidanyloct-7-enoic acid
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: C=CCCCC(CC(=O)O)O
Structure:
CAS RN: 120634-85-7
CAS Name: 4-[[2-[[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-oxolanyl]oxy]-6-heptyl-4-hydroxyphenyl]-oxomethoxy]-2-heptyl-6-hydroxybenzoic acid
OPENEYE Name: 4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-6-heptyl-4-hydroxy-benzoyl]oxy-2-heptyl-6-hydroxy-benzoic acid
IUPAC Name: 4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid
SYSTEMATIC NAME: 4-[2-[(2S,3R,4R)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-heptyl-4-oxidanyl-phenyl]carbonyloxy-2-heptyl-6-oxidanyl-benzoic acid
MOLECULAR FORMULA: C34H48O12
MOLECULAR WEIGHT: 648.73772
SMILES: CCCCCCCC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)CCCCCCC)C(=O)O)O)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O)O)O)O
Structure:
CAS RN: 120666-79-7
CAS Name: 7-phenyl-8-oxa-1-azabicyclo[5.2.1]decane-9,10-dione
OPENEYE Name: 7-phenyl-8-oxa-1-azabicyclo[5.2.1]decane-9,10-dione
IUPAC Name: 7-phenyl-8-oxa-1-azabicyclo[5.2.1]decane-9,10-dione
SYSTEMATIC NAME: 7-phenyl-8-oxa-1-azabicyclo[5.2.1]decane-9,10-dione
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: C1CCC2(C(=O)N(CC1)C(=O)O2)C3=CC=CC=C3
Structure:
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