CAS RN: 87896-52-4
CAS Name: 6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
OPENEYE Name: 6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
IUPAC Name: 6-(2-carboxyethyl)-8-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SYSTEMATIC NAME: 6-(3-hydroxy-3-oxopropyl)-8-oxidanyl-5-oxidanylidene-2,3-dihydro-1H-indolizine-3-carboxylic acid
MOLECULAR FORMULA: C12H13NO6
MOLECULAR WEIGHT: 267.23472
SMILES: C1CC2=C(C=C(C(=O)N2C1C(=O)O)CCC(=O)O)O
Structure:
CAS RN: 87877-77-8
CAS Name: 5-(1-hydroxyhexyl)-2-oxolanone
OPENEYE Name: 5-(1-hydroxyhexyl)tetrahydrofuran-2-one
IUPAC Name: 5-(1-hydroxyhexyl)oxolan-2-one
SYSTEMATIC NAME: 5-(1-oxidanylhexyl)oxolan-2-one
MOLECULAR FORMULA: C10H18O3
MOLECULAR WEIGHT: 186.24812
SMILES: CCCCCC(C1CCC(=O)O1)O
Structure:
CAS RN: 87858-57-9
CAS Name: 5-[[4-[(3-hydroxy-1-methylcyclohexyl)methoxy]phenyl]methyl]thiazolidine-2,4-dione
OPENEYE Name: 5-[[4-[(3-hydroxy-1-methyl-cyclohexyl)methoxy]phenyl]methyl]thiazolidine-2,4-dione
IUPAC Name: 5-[[4-[(3-hydroxy-1-methylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[4-[(1-methyl-3-oxidanyl-cyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C18H23NO4S
MOLECULAR WEIGHT: 349.44452
SMILES: CC1(CCCC(C1)O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
Structure:
CAS RN: 87830-29-3
CAS Name: cubane-1,4-diamine
OPENEYE Name: cubane-1,4-diamine
IUPAC Name: cubane-1,4-diamine
SYSTEMATIC NAME: cubane-1,4-diamine
MOLECULAR FORMULA: C8H10N2
MOLECULAR WEIGHT: 134.1784
SMILES: C12C3C4C1(C5C2C3(C45)N)N
Structure:
CAS RN: 87827-55-2
CAS Name: (1R,3aS,8aS)-1-methyl-4-methylene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
OPENEYE Name: (1R,3aS,8aS)-7-isopropyl-1-methyl-4-methylene-2,3,3a,5,6,8a-hexahydroazulen-1-ol
IUPAC Name: (1R,3aS,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
SYSTEMATIC NAME: (1R,3aS,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
MOLECULAR FORMULA: C15H24O
MOLECULAR WEIGHT: 220.35046
SMILES: CC(C)C1=C[C@H]2[C@H](CC[C@@]2(C)O)C(=C)CC1
Structure:
CAS RN: 87827-02-9
CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenylethanol
OPENEYE Name: 1-cyclopentyl-1-phenyl-2-quinuclidin-3-yloxy-ethanol
IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenylethanol
SYSTEMATIC NAME: 2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenyl-ethanol
MOLECULAR FORMULA: C20H29NO2
MOLECULAR WEIGHT: 315.44976
SMILES: C1CCC(C1)C(COC2CN3CCC2CC3)(C4=CC=CC=C4)O
Structure:
CAS RN: 87810-49-9
CAS Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl] [[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
OPENEYE Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
IUPAC Name: [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C17H26FN3O17P2
MOLECULAR WEIGHT: 625.344165
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=O)NC3=O)F)O)O)CO)O)O
Structure:
CAS RN: 87810-47-7
CAS Name: (3aS,4R,6R,7R,7aS)-6,7-dihydroxy-4-(hydroxymethyl)-2-methyl-6-(2,3,4-trihydroxybutyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid
OPENEYE Name: (3aS,4R,6R,7R,7aS)-6,7-dihydroxy-4-(hydroxymethyl)-2-methyl-6-(2,3,4-trihydroxybutyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid
IUPAC Name: (3aS,4R,6R,7R,7aS)-6,7-dihydroxy-4-(hydroxymethyl)-2-methyl-6-(2,3,4-trihydroxybutyl)-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid
SYSTEMATIC NAME: (3aS,4R,6R,7R,7aS)-4-(hydroxymethyl)-2-methyl-6,7-bis(oxidanyl)-6-[2,3,4-tris(oxidanyl)butyl]-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2-carboxylic acid
MOLECULAR FORMULA: C13H22O11
MOLECULAR WEIGHT: 354.30718
SMILES: CC1(O[C@H]2[C@H](O[C@@]([C@@H]([C@@H]2O1)O)(CC(C(CO)O)O)O)CO)C(=O)O
Structure:
CAS RN: 87787-87-9
CAS Name: 3-ethyl-3-[4-(hydroxyamino)phenyl]piperidine-2,6-dione
OPENEYE Name: 3-ethyl-3-[4-(hydroxyamino)phenyl]piperidine-2,6-dione
IUPAC Name: 3-ethyl-3-[4-(hydroxyamino)phenyl]piperidine-2,6-dione
SYSTEMATIC NAME: 3-ethyl-3-[4-(oxidanylamino)phenyl]piperidine-2,6-dione
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)NO
Structure:
CAS RN: 87771-55-9
CAS Name: (4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol
OPENEYE Name: (4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol
IUPAC Name: (4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol
SYSTEMATIC NAME: (4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol
MOLECULAR FORMULA: C21H16O3
MOLECULAR WEIGHT: 316.34994
SMILES: COC1=CC2=C3C=CC4=C5C3=C(C=C2C=C1)[C@@H]([C@H](C5=CC=C4)O)O
Structure:
CAS RN: 87766-32-3
CAS Name: (2S)-5-oxo-N-(phenylmethyl)-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-benzyl-5-oxo-pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-benzyl-5-oxopyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-5-oxidanylidene-N-(phenylmethyl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: C1CC(=O)N[C@@H]1C(=O)NCC2=CC=CC=C2
Structure:
CAS RN: 87739-93-3
CAS Name: 6,6-dimethyl-1-[4-[(phenylthio)methyl]phenyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6,6-dimethyl-1-[4-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6,6-dimethyl-1-[4-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6,6-dimethyl-1-[4-(phenylsulfanylmethyl)phenyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C18H21N5S
MOLECULAR WEIGHT: 339.45784
SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)CSC3=CC=CC=C3)N)N)C
Structure:
CAS RN: 87736-85-4
CAS Name: 3-(4-methylphenyl)-3-(trifluoromethyl)diazirine
OPENEYE Name: 3-(p-tolyl)-3-(trifluoromethyl)diazirine
IUPAC Name: 3-(4-methylphenyl)-3-(trifluoromethyl)diazirine
SYSTEMATIC NAME: 3-(4-methylphenyl)-3-(trifluoromethyl)-1,2-diazirine
MOLECULAR FORMULA: C9H7F3N2
MOLECULAR WEIGHT: 200.16049
SMILES: CC1=CC=C(C=C1)C2(N=N2)C(F)(F)F
Structure:
CAS RN: 87695-64-5
CAS Name: (5R,6S)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6S)-3-(2-acetamidoethylsulfinyl)-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6S)-3-(2-acetamidoethylsulfinyl)-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6S)-3-(2-acetamidoethylsulfinyl)-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C14H20N2O6S
MOLECULAR WEIGHT: 344.3834
SMILES: CC(=O)NCCS(=O)C1=C(N2[C@H](C1)[C@H](C2=O)C(C)(C)O)C(=O)O
Structure:
CAS RN: 87672-07-9
CAS Name: 2-amino-4-[4-(2-amino-2-carboxyethyl)-1-[5-amino-5-carboxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]pentyl]-5-hydroxy-3-pyridin-1-iumyl]butanoate
OPENEYE Name: 2-amino-4-[4-(2-amino-2-carboxy-ethyl)-1-[5-amino-5-carboxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentyl]-5-hydroxy-pyridin-1-ium-3-yl]butanoate
IUPAC Name: 2-amino-4-[4-(2-amino-2-carboxyethyl)-1-[5-amino-5-carboxy-2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-5-hydroxypyridin-1-ium-3-yl]butanoate
SYSTEMATIC NAME: 2-azanyl-4-[1-[5-azanyl-2-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-6-oxidanylidene-hexyl]-4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-pyridin-1-ium-3-yl]butanoate
MOLECULAR FORMULA: C24H38N4O13
MOLECULAR WEIGHT: 590.57752
SMILES: C1=C(C(=C(C=[N+]1CC(CCC(C(=O)O)N)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)CC(C(=O)O)N)CCC(C(=O)[O-])N
Structure:
CAS RN: 87668-61-9
CAS Name: dichloro-(2,5-dichlorophenoxy)-sulfanylidenephosphorane
OPENEYE Name: dichloro-(2,5-dichlorophenoxy)-thioxo-$l^{5}-phosphane
IUPAC Name: dichloro-(2,5-dichlorophenoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: [2,5-bis(chloranyl)phenoxy]-bis(chloranyl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C6H3Cl4OPS
MOLECULAR WEIGHT: 295.938181
SMILES: C1=CC(=C(C=C1Cl)OP(=S)(Cl)Cl)Cl
Structure:
CAS RN: 87667-59-2
CAS Name: (2S)-2-acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoic acid
OPENEYE Name: (2S)-2-acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoic acid
IUPAC Name: (2S)-2-acetamido-3-(6-hydroxy-1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-acetamido-3-(6-oxidanyl-1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C13H14N2O4
MOLECULAR WEIGHT: 262.26126
SMILES: CC(=O)N[C@@H](CC1=CNC2=C1C=CC(=C2)O)C(=O)O
Structure:
CAS RN: 87657-30-5
CAS Name: (4aS,10bS)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,9-diol
OPENEYE Name: (4aS,10bS)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,9-diol
IUPAC Name: (4aS,10bS)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,9-diol
SYSTEMATIC NAME: (4aS,10bS)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,9-diol
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CCCN1CCC[C@@H]2[C@@H]1CCC3=C(C=C(C=C23)O)O
Structure:
CAS RN: 87657-28-1
CAS Name: (4aS,10bS)-4-ethyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,9-diol
OPENEYE Name: (4aS,10bS)-4-ethyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,9-diol
IUPAC Name: (4aS,10bS)-4-ethyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,9-diol
SYSTEMATIC NAME: (4aS,10bS)-4-ethyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-7,9-diol
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCN1CCC[C@@H]2[C@@H]1CCC3=C(C=C(C=C23)O)O
Structure:
CAS RN: 87657-26-9
CAS Name: (4aS,10bS)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,9-diol
OPENEYE Name: (4aS,10bS)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,9-diol
IUPAC Name: (4aS,10bS)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,9-diol
SYSTEMATIC NAME: (4aS,10bS)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline-7,9-diol
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C1C[C@@H]2[C@H](CCC3=C(C=C(C=C23)O)O)NC1
Structure:
CAS RN: 87657-14-5
CAS Name: (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-6,8-diol
OPENEYE Name: (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-6,8-diol
IUPAC Name: (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-6,8-diol
SYSTEMATIC NAME: (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-6,8-diol
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C1C[C@H]2CC3=C(C=C(C=C3C[C@@H]2NC1)O)O
Structure:
CAS RN: 87653-67-6
CAS Name: 2-acetyloxybenzoic acid; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(1-piperidinyl)-6-pyrimido[5,4-d]pyrimidinyl]-(2-hydroxyethyl)amino]ethanol
OPENEYE Name: 2-acetoxybenzoic acid; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(1-piperidyl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
IUPAC Name: 2-acetyloxybenzoic acid; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-acetyloxybenzoic acid; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C33H48N8O8
MOLECULAR WEIGHT: 684.78302
SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO
Structure:
CAS RN: 87626-74-2
CAS Name: 2-(6-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)acetic acid
OPENEYE Name: 2-(6-methyl-4-oxo-2-phenyl-chromen-8-yl)acetic acid
IUPAC Name: 2-(6-methyl-4-oxo-2-phenylchromen-8-yl)acetic acid
SYSTEMATIC NAME: 2-(6-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)ethanoic acid
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: CC1=CC(=C2C(=C1)C(=O)C=C(O2)C3=CC=CC=C3)CC(=O)O
Structure:
CAS RN: 87623-39-0
CAS Name: (2R)-2-amino-3-[(1,2,6-trimethyl-3,5-dioxo-7-pyrazolo[1,2-a]pyrazolyl)methylthio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[(1,2,6-trimethyl-3,5-dioxo-pyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]propanoic acid
IUPAC Name: (2R)-2-amino-3-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[[1,2,6-trimethyl-3,5-bis(oxidanylidene)pyrazolo[1,2-a]pyrazol-7-yl]methylsulfanyl]propanoic acid
MOLECULAR FORMULA: C13H17N3O4S
MOLECULAR WEIGHT: 311.35678
SMILES: CC1=C(N2C(=C(C(=O)N2C1=O)C)CSC[C@@H](C(=O)O)N)C
Structure:
CAS RN: 87622-51-3
CAS Name: (6R)-2-amino-6-[(2S)-2-hydroxy-1-oxopropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
OPENEYE Name: (6R)-2-amino-6-[(2S)-2-hydroxypropanoyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
IUPAC Name: (6R)-2-amino-6-[(2S)-2-hydroxypropanoyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
SYSTEMATIC NAME: (6R)-2-azanyl-6-[(2S)-2-oxidanylpropanoyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one
MOLECULAR FORMULA: C9H13N5O3
MOLECULAR WEIGHT: 239.23122
SMILES: C[C@@H](C(=O)[C@H]1CNC2=C(N1)C(=O)N=C(N2)N)O
Structure:
CAS RN: 87621-00-9
CAS Name: 4-nitrobenzoic acid [(2S)-2-[[[(2S)-2-amino-1-oxopropyl]amino]-oxomethyl]-1-pyrrolidinyl] ester
OPENEYE Name: [(2S)-2-[[(2S)-2-aminopropanoyl]carbamoyl]pyrrolidin-1-yl] 4-nitrobenzoate
IUPAC Name: [(2S)-2-[[(2S)-2-aminopropanoyl]carbamoyl]pyrrolidin-1-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [(2S)-2-[[(2S)-2-azanylpropanoyl]carbamoyl]pyrrolidin-1-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C15H18N4O6
MOLECULAR WEIGHT: 350.32662
SMILES: C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N
Structure:
CAS RN: 87620-09-5
CAS Name: (2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxopropyl]amino]-1-oxobutyl]amino]-1,4-dioxobutyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxo-butanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]hexan
MOLECULAR FORMULA: C35H52N8O12
MOLECULAR WEIGHT: 776.83378
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]2CCC(=O)N2
Structure:
CAS RN: 87620-10-8
CAS Name: 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-5-(4-azido-3-iodophenyl)-1-pentanone
OPENEYE Name: 1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-azido-3-iodo-phenyl)pentan-1-one
IUPAC Name: 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-(4-azido-3-iodophenyl)pentan-1-one
SYSTEMATIC NAME: 1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-5-(4-azido-3-iodanyl-phenyl)pentan-1-one
MOLECULAR FORMULA: C25H29IN8O3
MOLECULAR WEIGHT: 616.45403
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CCCCC4=CC(=C(C=C4)N=[N+]=[N-])I)N)OC
Structure:
CAS RN: 87619-62-3
CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-(methylthio)butanamide
OPENEYE Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-benzyl-2-oxo-ethyl]-4-methylsulfanyl-butanamide
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methylsulfanyl-butanamide
MOLECULAR FORMULA: C25H33N5O5S
MOLECULAR WEIGHT: 515.62502
SMILES: CSCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 87615-48-3
CAS Name: 2-amino-2,3-dihydro-1H-indene-4,6-diol
OPENEYE Name: 2-aminoindane-4,6-diol
IUPAC Name: 2-amino-2,3-dihydro-1H-indene-4,6-diol
SYSTEMATIC NAME: 2-azanyl-2,3-dihydro-1H-indene-4,6-diol
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: C1C(CC2=C(C=C(C=C21)O)O)N
Structure:
CAS RN: 87615-44-9
CAS Name: 6-amino-4aH-benzo[7]annulene-1,3-diol
OPENEYE Name: 6-amino-4aH-benzo[7]annulene-1,3-diol
IUPAC Name: 6-amino-4aH-benzo[7]annulene-1,3-diol
SYSTEMATIC NAME: 6-azanyl-4aH-benzo[7]annulene-1,3-diol
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: C1=CC(=CC2C=C(C=C(C2=C1)O)O)N
Structure:
CAS RN: 87597-26-0
CAS Name: 5-bromoimidazo[1,2-a]pyrazine
OPENEYE Name: 5-bromoimidazo[1,2-a]pyrazine
IUPAC Name: 5-bromoimidazo[1,2-a]pyrazine
SYSTEMATIC NAME: 5-bromanylimidazo[1,2-a]pyrazine
MOLECULAR FORMULA: C6H4BrN3
MOLECULAR WEIGHT: 198.02006
SMILES: C1=CN2C(=CN=CC2=N1)Br
Structure:
CAS RN: 87590-99-6
CAS Name: 8-[(1R,2S)-2-(7-methyloctyl)cyclopropyl]octanoic acid
OPENEYE Name: 8-[(1R,2S)-2-(7-methyloctyl)cyclopropyl]octanoic acid
IUPAC Name: 8-[(1R,2S)-2-(7-methyloctyl)cyclopropyl]octanoic acid
SYSTEMATIC NAME: 8-[(1R,2S)-2-(7-methyloctyl)cyclopropyl]octanoic acid
MOLECULAR FORMULA: C20H38O2
MOLECULAR WEIGHT: 310.51452
SMILES: CC(C)CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O
Structure:
CAS RN: 87581-16-6
CAS Name: 4-nitro-N-[3-[4-[3-[[(4-nitrophenyl)-oxomethyl]amino]propylamino]butylamino]propyl]benzamide
OPENEYE Name: 4-nitro-N-[3-[4-[3-[(4-nitrobenzoyl)amino]propylamino]butylamino]propyl]benzamide
IUPAC Name: 4-nitro-N-[3-[4-[3-[(4-nitrobenzoyl)amino]propylamino]butylamino]propyl]benzamide
SYSTEMATIC NAME: 4-nitro-N-[3-[4-[3-[(4-nitrophenyl)carbonylamino]propylamino]butylamino]propyl]benzamide
MOLECULAR FORMULA: C24H32N6O6
MOLECULAR WEIGHT: 500.54748
SMILES: C1=CC(=CC=C1C(=O)NCCCNCCCCNCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 87578-63-0
CAS Name: N-[(4-butoxyphenyl)methyl]formamide
OPENEYE Name: N-[(4-butoxyphenyl)methyl]formamide
IUPAC Name: N-[(4-butoxyphenyl)methyl]formamide
SYSTEMATIC NAME: N-[(4-butoxyphenyl)methyl]methanamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCCCOC1=CC=C(C=C1)CNC=O
Structure:
CAS RN: 87569-96-8
CAS Name: 2-(3-ethoxy-6-oxo-9-xanthenyl)benzoic acid ethyl ester
OPENEYE Name: ethyl 2-(3-ethoxy-6-oxo-xanthen-9-yl)benzoate
IUPAC Name: ethyl 2-(3-ethoxy-6-oxoxanthen-9-yl)benzoate
SYSTEMATIC NAME: ethyl 2-(3-ethoxy-6-oxidanylidene-xanthen-9-yl)benzoate
MOLECULAR FORMULA: C24H20O5
MOLECULAR WEIGHT: 388.4126
SMILES: CCOC1=CC2=C(C=C1)C(=C3C=CC(=O)C=C3O2)C4=CC=CC=C4C(=O)OCC
Structure:
CAS RN: 87566-34-5
CAS Name: 3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
OPENEYE Name: 3-methyl-7-(2-thienyl)-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
IUPAC Name: 3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
SYSTEMATIC NAME: 3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
MOLECULAR FORMULA: C17H19N3S
MOLECULAR WEIGHT: 297.41786
SMILES: CN1CCN2C(C1)CN=C(C3=CC=CC=C32)C4=CC=CS4
Structure:
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